============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 5 1.000 -37.066 -19.889 33.159 -99.200 -91.000 PHE 10 1.000 -36.997 -8.018 43.598 -99.200 -91.000 HIS 21 0.900 -50.535 -12.905 31.868 -99.200 -91.000 PHE 29 1.000 -46.633 -21.734 26.920 -99.200 -91.000 PHE 31 1.000 -42.560 -28.851 33.824 -99.200 -91.000 PHE 43 1.000 -32.624 -9.417 49.208 -99.200 -91.000 HIS 46 0.900 -42.869 -16.485 50.947 -99.200 -91.000 HIS 66 0.900 -30.183 -12.809 46.357 -99.200 -91.000 TRP 68 1.040 -28.451 -22.065 49.468 -99.200 -91.000 TRP6 68 1.020 -29.271 -24.279 49.521 -99.200 -91.000 HIS 69 0.900 -29.749 -14.804 50.552 -99.200 -91.000 HIS 70 0.900 -38.581 -17.314 54.149 -99.200 -91.000 TYR 74 0.840 -30.767 -24.527 54.733 -99.200 -91.000 TYR 82 0.840 -44.121 -27.323 48.683 -99.200 -91.000 TYR 90 0.840 -24.863 -23.446 45.831 -99.200 -91.000 TRP 100 1.040 -29.427 -33.416 38.155 -99.200 -91.000 TRP6 100 1.020 -30.254 -35.590 37.735 -99.200 -91.000 PHE 103 1.000 -40.135 -31.672 36.875 -99.200 -91.000 PHE 120 1.000 -18.025 -8.801 36.109 -99.200 -91.000 PHE 128 1.000 -18.259 -22.143 31.148 -99.200 -91.000 PHE 144 1.000 -35.195 -24.081 30.649 -99.200 -91.000 PHE 147 1.000 -24.261 -19.968 33.234 -99.200 -91.000 HIS 148 0.900 -29.580 -16.512 39.414 -99.200 -91.000 TRP 160 1.040 -21.703 -19.072 21.267 -99.200 -91.000 TRP6 160 1.020 -22.626 -19.621 19.161 -99.200 -91.000 HIS 161 0.900 -19.013 -26.528 27.481 -99.200 -91.000 HIS 173 0.900 -28.006 -12.501 39.806 -99.200 -91.000 HIS 175 0.900 -33.621 -9.438 39.011 -99.200 -91.000 TYR 190 0.840 -27.395 -17.569 24.893 -99.200 -91.000 PHE 196 1.000 -38.106 -7.678 38.408 -99.200 -91.000 HIS 200 0.900 -42.634 -1.706 33.066 -99.200 -91.000 PHE 215 1.000 -26.132 2.789 41.881 -99.200 -91.000 HIS 221 0.900 -29.313 6.734 51.733 -99.200 -91.000 TYR 223 0.840 -31.176 -1.322 49.211 -99.200 -91.000 HIS 238 0.900 -43.320 -26.902 19.278 -99.200 -91.000 PHE 239 1.000 -37.617 -27.581 25.096 -99.200 -91.000 TYR 250 0.840 -46.513 -14.154 27.375 -99.200 -91.000 PHE 252 1.000 -50.337 -9.090 31.620 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1t70G1 MET 1801 HA -0.01 0.22 0.33 -0.75 4.52 4.30 1t70G1 MET 1801 HB2 -0.07 -0.09 0.16 -0.04 2.15 2.10 1t70G1 MET 1801 HB3 -0.23 0.02 0.03 -0.04 2.03 1.81 1t70G1 MET 1801 HG2 0.02 -0.05 0.06 -0.04 2.63 2.62 1t70G1 MET 1801 HG3 -0.00 0.01 0.05 -0.04 2.56 2.58 1t70G1 MET 1801 HE3 0.11 -0.01 0.02 -0.04 2.10 2.18 1t70G1 ARG 1802 H -0.08 0.16 0.15 -0.55 8.46 8.13 1t70G1 ARG 1802 HA -0.15 0.31 0.99 -0.75 4.34 4.73 1t70G1 ARG 1802 HB2 -0.04 -0.11 0.30 -0.04 1.90 2.01 1t70G1 ARG 1802 HB3 -0.07 0.12 0.17 -0.04 1.80 1.98 1t70G1 ARG 1802 HG2 -0.15 0.01 0.02 -0.04 1.67 1.50 1t70G1 ARG 1802 HG3 -0.23 -0.11 0.00 -0.04 1.67 1.30 1t70G1 ARG 1802 HD2 -0.19 0.27 0.08 -0.04 3.22 3.34 1t70G1 ARG 1802 HD3 -0.05 -0.07 0.01 -0.04 3.22 3.06 1t70G1 VAL 1803 H -0.05 0.49 0.26 -0.55 8.24 8.40 1t70G1 VAL 1803 HA 0.07 0.25 1.15 -0.75 4.13 4.84 1t70G1 VAL 1803 HB 0.04 0.00 -0.12 -0.04 2.12 2.00 1t70G1 VAL 1803 HG13 0.21 -0.02 -0.29 -0.04 0.97 0.82 1t70G1 VAL 1803 HG23 -0.01 -0.00 -0.06 -0.04 0.95 0.84 1t70G1 LEU 1804 H -0.48 0.51 0.32 -0.55 8.37 8.18 1t70G1 LEU 1804 HA -0.45 0.10 0.85 -0.75 4.35 4.10 1t70G1 LEU 1804 HB2 -2.60 0.02 -0.03 -0.04 1.64 -1.01 1t70G1 LEU 1804 HB3 -1.13 0.07 0.10 -0.04 1.64 0.64 1t70G1 LEU 1804 HG -0.45 -0.02 -0.60 -0.04 1.64 0.53 1t70G1 LEU 1804 HD13 -0.29 -0.04 -0.18 -0.04 0.93 0.37 1t70G1 LEU 1804 HD23 -0.52 0.01 -0.20 -0.04 0.89 0.13 1t70G1 PHE 1805 H -0.06 0.26 0.15 -0.55 8.34 8.14 1t70G1 PHE 1805 HA -0.25 0.37 1.02 -0.75 4.62 5.01 1t70G1 PHE 1805 HB2 -0.27 0.03 -0.07 -0.04 3.15 2.80 1t70G1 PHE 1805 HB3 -0.00 -0.04 0.13 -0.04 3.06 3.10 1t70G1 PHE 1805 HD2 -0.11 -0.04 -0.30 -0.04 7.28 6.78 1t70G1 PHE 1805 HE2 0.13 -0.06 -0.25 -0.04 7.38 7.16 1t70G1 PHE 1805 HZ 0.12 -0.12 -0.12 -0.04 7.32 7.15 1t70G1 ILE 1806 H -0.91 0.65 0.30 -0.55 8.25 7.75 1t70G1 ILE 1806 HA -0.12 0.18 1.00 -0.75 4.18 4.49 1t70G1 ILE 1806 HB -0.32 -0.05 0.10 -0.04 1.89 1.58 1t70G1 ILE 1806 HG12 -0.17 0.00 -0.31 -0.04 1.49 0.96 1t70G1 ILE 1806 HG13 -0.32 0.01 -0.37 -0.04 1.21 0.49 1t70G1 ILE 1806 HG23 -0.11 0.04 -0.13 -0.04 0.93 0.68 1t70G1 ILE 1806 HD13 -0.19 0.00 -0.15 -0.04 0.88 0.50 1t70G1 GLY 1807 H 0.05 0.71 0.29 -0.55 8.43 8.93 1t70G1 GLY 1807 HA2 0.23 -0.17 0.42 -0.51 4.01 3.98 1t70G1 GLY 1807 HA3 0.16 0.32 0.33 -0.51 4.01 4.31 1t70G1 ASP 1808 H 0.13 -0.08 0.10 -0.55 8.40 7.99 1t70G1 ASP 1808 HA 0.03 -0.03 0.25 -0.75 4.63 4.13 1t70G1 ASP 1808 HB2 -0.08 -0.02 -0.08 -0.04 2.71 2.50 1t70G1 ASP 1808 HB3 0.03 0.04 -0.14 -0.04 2.70 2.60 1t70G1 VAL 1809 H -0.06 0.29 0.15 -0.55 8.24 8.07 1t70G1 VAL 1809 HA -0.13 0.30 0.66 -0.75 4.13 4.21 1t70G1 VAL 1809 HB -0.10 -0.17 0.03 -0.04 2.12 1.84 1t70G1 VAL 1809 HG13 -0.10 0.01 -0.22 -0.04 0.97 0.62 1t70G1 VAL 1809 HG23 -0.12 0.07 -0.07 -0.04 0.95 0.80 1t70G1 PHE 1810 H -0.08 0.49 0.25 -0.55 8.34 8.45 1t70G1 PHE 1810 HA -0.08 0.30 0.91 -0.75 4.62 4.99 1t70G1 PHE 1810 HB2 0.19 0.02 -0.21 -0.04 3.15 3.12 1t70G1 PHE 1810 HB3 -0.13 -0.09 0.16 -0.04 3.06 2.95 1t70G1 PHE 1810 HD2 0.19 -0.07 -0.20 -0.04 7.28 7.16 1t70G1 PHE 1810 HE2 -0.05 -0.01 -0.07 -0.04 7.38 7.21 1t70G1 PHE 1810 HZ -0.23 -0.01 -0.14 -0.04 7.32 6.90 1t70G1 GLY 1811 H -0.31 0.52 0.09 -0.55 8.43 8.18 1t70G1 GLY 1811 HA2 -0.14 -0.10 0.38 -0.51 4.01 3.64 1t70G1 GLY 1811 HA3 0.02 0.03 0.38 -0.51 4.01 3.92 1t70G1 GLN 1812 H 0.02 0.10 0.22 -0.55 8.47 8.27 1t70G1 GLN 1812 HA 0.00 0.05 0.47 -0.75 4.36 4.13 1t70G1 GLN 1812 HB2 0.03 0.06 0.21 -0.04 2.15 2.41 1t70G1 GLN 1812 HB3 0.02 0.03 0.04 -0.04 2.02 2.07 1t70G1 GLN 1812 HG2 0.03 0.01 0.07 -0.04 2.40 2.47 1t70G1 GLN 1812 HG3 0.03 -0.09 0.16 -0.04 2.39 2.45 1t70G1 GLN 1812 HE21 0.04 0.03 0.05 -0.04 6.97 7.05 1t70G1 GLN 1812 HE22 0.04 -0.04 0.08 -0.04 7.69 7.73 1t70G1 PRO 1813 HA -0.00 0.02 0.36 -0.51 4.44 4.31 1t70G1 PRO 1813 HB2 -0.00 0.02 0.06 -0.04 2.28 2.31 1t70G1 PRO 1813 HB3 -0.00 0.15 -0.03 -0.04 2.02 2.09 1t70G1 PRO 1813 HG2 0.05 0.38 0.14 -0.04 2.03 2.56 1t70G1 PRO 1813 HG3 0.03 -0.06 0.14 -0.04 2.03 2.10 1t70G1 PRO 1813 HD2 0.08 0.11 0.13 -0.04 3.68 3.96 1t70G1 PRO 1813 HD3 0.04 0.00 0.22 -0.04 3.65 3.88 1t70G1 GLY 1814 H -0.02 0.44 -0.22 -0.55 8.43 8.09 1t70G1 GLY 1814 HA2 -0.16 0.02 0.24 -0.51 4.01 3.61 1t70G1 GLY 1814 HA3 -0.11 -0.00 0.44 -0.51 4.01 3.82 1t70G1 ARG 1815 H -0.04 0.53 -0.11 -0.55 8.46 8.28 1t70G1 ARG 1815 HA -0.05 -0.02 0.32 -0.75 4.34 3.84 1t70G1 ARG 1815 HB2 -0.01 0.05 0.16 -0.04 1.90 2.07 1t70G1 ARG 1815 HB3 -0.01 -0.06 -0.03 -0.04 1.80 1.66 1t70G1 ARG 1815 HG2 -0.05 -0.05 -0.02 -0.04 1.67 1.50 1t70G1 ARG 1815 HG3 -0.06 0.31 0.01 -0.04 1.67 1.89 1t70G1 ARG 1815 HD2 0.04 -0.00 -0.07 -0.04 3.22 3.14 1t70G1 ARG 1815 HD3 0.02 -0.13 -0.06 -0.04 3.22 3.01 1t70G1 ARG 1816 H -0.02 0.79 -0.17 -0.55 8.46 8.52 1t70G1 ARG 1816 HA -0.00 -0.02 0.33 -0.75 4.34 3.90 1t70G1 ARG 1816 HB2 0.00 -0.07 0.01 -0.04 1.90 1.81 1t70G1 ARG 1816 HB3 -0.00 0.24 0.18 -0.04 1.80 2.18 1t70G1 ARG 1816 HG2 0.02 -0.01 -0.27 -0.04 1.67 1.37 1t70G1 ARG 1816 HG3 0.01 -0.04 -0.03 -0.04 1.67 1.58 1t70G1 ARG 1816 HD2 0.01 0.00 -0.06 -0.04 3.22 3.13 1t70G1 ARG 1816 HD3 0.02 -0.03 -0.07 -0.04 3.22 3.10 1t70G1 VAL 1817 H -0.01 0.52 -0.08 -0.55 8.24 8.12 1t70G1 VAL 1817 HA 0.05 0.05 0.56 -0.75 4.13 4.04 1t70G1 VAL 1817 HB 0.09 -0.05 -0.10 -0.04 2.12 2.03 1t70G1 VAL 1817 HG13 0.05 -0.01 -0.08 -0.04 0.97 0.89 1t70G1 VAL 1817 HG23 -0.04 0.08 -0.12 -0.04 0.95 0.84 1t70G1 LEU 1818 H -0.03 0.56 -0.14 -0.55 8.37 8.21 1t70G1 LEU 1818 HA -0.03 -0.00 0.42 -0.75 4.35 3.98 1t70G1 LEU 1818 HB2 -0.08 0.06 0.04 -0.04 1.64 1.62 1t70G1 LEU 1818 HB3 -0.06 0.05 0.07 -0.04 1.64 1.66 1t70G1 LEU 1818 HG -0.10 -0.05 -0.09 -0.04 1.64 1.36 1t70G1 LEU 1818 HD13 -0.08 -0.00 -0.29 -0.04 0.93 0.51 1t70G1 LEU 1818 HD23 -0.12 -0.01 0.00 -0.04 0.89 0.72 1t70G1 GLN 1819 H -0.02 0.39 -0.34 -0.55 8.47 7.96 1t70G1 GLN 1819 HA -0.04 0.18 0.72 -0.75 4.36 4.47 1t70G1 GLN 1819 HB2 -0.02 0.07 0.04 -0.04 2.15 2.20 1t70G1 GLN 1819 HB3 -0.02 -0.02 -0.01 -0.04 2.02 1.93 1t70G1 GLN 1819 HG2 -0.03 0.15 -0.19 -0.04 2.40 2.29 1t70G1 GLN 1819 HG3 -0.03 0.00 -0.13 -0.04 2.39 2.19 1t70G1 GLN 1819 HE21 -0.01 -0.06 -0.03 -0.04 6.97 6.82 1t70G1 GLN 1819 HE22 -0.02 -0.06 -0.13 -0.04 7.69 7.44 1t70G1 ASN 1820 H 0.00 0.23 -0.08 -0.55 8.53 8.14 1t70G1 ASN 1820 HA -0.02 0.14 0.66 -0.75 4.76 4.79 1t70G1 ASN 1820 HB2 0.04 -0.01 0.14 -0.04 2.88 3.00 1t70G1 ASN 1820 HB3 0.02 -0.07 0.08 -0.04 2.79 2.78 1t70G1 ASN 1820 HD21 0.01 -0.06 -0.00 -0.04 7.03 6.94 1t70G1 ASN 1820 HD22 0.02 -0.05 0.00 -0.04 7.74 7.67 1t70G1 HIS 1821 H 0.04 0.33 -0.24 -0.55 8.41 7.99 1t70G1 HIS 1821 HA -0.19 0.17 0.95 -0.75 4.63 4.81 1t70G1 HIS 1821 HB2 -0.18 -0.08 -0.02 -0.04 3.26 2.94 1t70G1 HIS 1821 HB3 -0.12 0.08 0.04 -0.04 3.20 3.15 1t70G1 HIS 1821 HD2 -0.11 0.03 -0.28 -0.04 6.97 6.57 1t70G1 HIS 1821 HE1 -0.62 -0.00 -0.09 -0.04 7.75 6.99 1t70G1 LEU 1822 H -0.02 0.23 -0.08 -0.55 8.37 7.95 1t70G1 LEU 1822 HA -0.14 -0.06 0.19 -0.75 4.35 3.59 1t70G1 LEU 1822 HB2 -0.08 0.33 0.16 -0.04 1.64 2.00 1t70G1 LEU 1822 HB3 -0.10 0.13 -0.11 -0.04 1.64 1.52 1t70G1 LEU 1822 HG -0.16 -0.07 -0.09 -0.04 1.64 1.28 1t70G1 LEU 1822 HD13 -0.16 0.02 -0.28 -0.04 0.93 0.47 1t70G1 LEU 1822 HD23 -0.18 -0.01 -0.16 -0.04 0.89 0.50 1t70G1 PRO 1823 HA -0.09 0.12 0.50 -0.51 4.44 4.45 1t70G1 PRO 1823 HB2 -0.08 -0.05 -0.04 -0.04 2.28 2.08 1t70G1 PRO 1823 HB3 -0.07 0.14 0.15 -0.04 2.02 2.20 1t70G1 PRO 1823 HG2 -0.10 -0.01 -0.26 -0.04 2.03 1.62 1t70G1 PRO 1823 HG3 -0.06 0.16 -0.01 -0.04 2.03 2.08 1t70G1 PRO 1823 HD2 -0.08 -0.19 -0.67 -0.04 3.68 2.70 1t70G1 PRO 1823 HD3 -0.08 0.17 0.02 -0.04 3.65 3.72 1t70G1 THR 1824 H -0.22 0.41 -0.25 -0.55 8.28 7.67 1t70G1 THR 1824 HA -0.13 0.01 0.38 -0.75 4.39 3.89 1t70G1 THR 1824 HB -0.21 -0.09 0.08 -0.04 4.32 4.06 1t70G1 THR 1824 HG23 -0.17 -0.00 0.08 -0.04 1.22 1.08 1t70G1 ILE 1825 H -0.24 0.41 -0.32 -0.55 8.25 7.55 1t70G1 ILE 1825 HA -0.11 0.20 1.01 -0.75 4.18 4.53 1t70G1 ILE 1825 HB -0.06 -0.06 0.05 -0.04 1.89 1.79 1t70G1 ILE 1825 HG12 -0.33 0.06 -0.15 -0.04 1.49 1.02 1t70G1 ILE 1825 HG13 -0.13 0.12 -0.32 -0.04 1.21 0.84 1t70G1 ILE 1825 HG23 -0.21 -0.02 -0.21 -0.04 0.93 0.46 1t70G1 ILE 1825 HD13 -0.44 -0.04 -0.18 -0.04 0.88 0.18 1t70G1 ARG 1826 H -0.09 0.35 -0.07 -0.55 8.46 8.10 1t70G1 ARG 1826 HA 0.06 -0.04 0.36 -0.75 4.34 3.97 1t70G1 ARG 1826 HB2 -0.08 0.12 0.04 -0.04 1.90 1.94 1t70G1 ARG 1826 HB3 -0.05 0.04 0.07 -0.04 1.80 1.82 1t70G1 ARG 1826 HG2 -0.08 -0.10 -0.06 -0.04 1.67 1.38 1t70G1 ARG 1826 HG3 -0.07 0.04 0.05 -0.04 1.67 1.65 1t70G1 ARG 1826 HD2 -0.02 -0.01 -0.15 -0.04 3.22 2.99 1t70G1 ARG 1826 HD3 0.02 -0.02 -0.14 -0.04 3.22 3.04 1t70G1 PRO 1827 HA -0.03 0.09 0.39 -0.51 4.44 4.38 1t70G1 PRO 1827 HB2 -0.06 -0.01 -0.05 -0.04 2.28 2.12 1t70G1 PRO 1827 HB3 -0.05 -0.03 0.06 -0.04 2.02 1.96 1t70G1 PRO 1827 HG2 -0.06 0.02 0.03 -0.04 2.03 1.99 1t70G1 PRO 1827 HG3 -0.04 0.01 0.06 -0.04 2.03 2.02 1t70G1 PRO 1827 HD2 -0.07 0.05 -0.31 -0.04 3.68 3.31 1t70G1 PRO 1827 HD3 -0.06 0.28 0.15 -0.04 3.65 3.99 1t70G1 GLN 1828 H -0.10 0.23 -0.62 -0.55 8.47 7.43 1t70G1 GLN 1828 HA -0.20 0.03 0.42 -0.75 4.36 3.85 1t70G1 GLN 1828 HB2 -0.52 0.13 -0.00 -0.04 2.15 1.72 1t70G1 GLN 1828 HB3 -0.42 -0.09 0.11 -0.04 2.02 1.58 1t70G1 GLN 1828 HG2 -0.14 -0.04 -0.05 -0.04 2.40 2.12 1t70G1 GLN 1828 HG3 -0.13 0.04 -0.02 -0.04 2.39 2.23 1t70G1 GLN 1828 HE21 -0.05 -0.06 -0.00 -0.04 6.97 6.81 1t70G1 GLN 1828 HE22 -0.07 0.04 0.01 -0.04 7.69 7.63 1t70G1 PHE 1829 H 0.01 0.76 -0.42 -0.55 8.34 8.14 1t70G1 PHE 1829 HA -0.06 0.06 0.89 -0.75 4.62 4.76 1t70G1 PHE 1829 HB2 -0.10 0.11 -0.02 -0.04 3.15 3.10 1t70G1 PHE 1829 HB3 -0.08 -0.03 0.04 -0.04 3.06 2.95 1t70G1 PHE 1829 HD2 -0.12 0.09 -0.26 -0.04 7.28 6.95 1t70G1 PHE 1829 HE2 -0.16 -0.03 -0.13 -0.04 7.38 7.02 1t70G1 PHE 1829 HZ -0.10 -0.06 -0.09 -0.04 7.32 7.02 1t70G1 ASP 1830 H 0.15 0.67 0.40 -0.55 8.40 9.07 1t70G1 ASP 1830 HA 0.06 0.14 0.76 -0.75 4.63 4.84 1t70G1 ASP 1830 HB2 0.09 0.04 0.17 -0.04 2.71 2.97 1t70G1 ASP 1830 HB3 0.06 -0.02 0.05 -0.04 2.70 2.74 1t70G1 PHE 1831 H 0.18 0.27 0.32 -0.55 8.34 8.56 1t70G1 PHE 1831 HA -0.08 0.24 0.83 -0.75 4.62 4.86 1t70G1 PHE 1831 HB2 -0.05 0.01 -0.15 -0.04 3.15 2.92 1t70G1 PHE 1831 HB3 -0.08 -0.08 -0.03 -0.04 3.06 2.83 1t70G1 PHE 1831 HD2 -0.16 0.05 -0.05 -0.04 7.28 7.09 1t70G1 PHE 1831 HE2 -0.41 0.03 -0.04 -0.04 7.38 6.91 1t70G1 PHE 1831 HZ -1.65 0.27 -0.16 -0.04 7.32 5.73 1t70G1 VAL 1832 H -0.83 0.23 0.11 -0.55 8.24 7.20 1t70G1 VAL 1832 HA -0.44 0.26 1.08 -0.75 4.13 4.28 1t70G1 VAL 1832 HB -0.35 0.14 0.03 -0.04 2.12 1.91 1t70G1 VAL 1832 HG13 -0.34 -0.03 -0.25 -0.04 0.97 0.31 1t70G1 VAL 1832 HG23 -0.20 -0.00 -0.27 -0.04 0.95 0.44 1t70G1 ILE 1833 H -0.43 0.53 0.21 -0.55 8.25 8.01 1t70G1 ILE 1833 HA -0.47 0.16 0.79 -0.75 4.18 3.91 1t70G1 ILE 1833 HB -0.14 -0.06 0.02 -0.04 1.89 1.67 1t70G1 ILE 1833 HG12 -0.20 0.04 -0.18 -0.04 1.49 1.11 1t70G1 ILE 1833 HG13 -0.28 0.00 -0.18 -0.04 1.21 0.71 1t70G1 ILE 1833 HG23 0.04 -0.01 -0.19 -0.04 0.93 0.73 1t70G1 ILE 1833 HD13 -0.41 -0.00 -0.17 -0.04 0.88 0.25 1t70G1 VAL 1834 H -0.27 0.68 0.36 -0.55 8.24 8.45 1t70G1 VAL 1834 HA -0.68 0.19 1.00 -0.75 4.13 3.89 1t70G1 VAL 1834 HB -0.22 -0.04 0.04 -0.04 2.12 1.86 1t70G1 VAL 1834 HG13 -0.22 0.01 -0.23 -0.04 0.97 0.50 1t70G1 VAL 1834 HG23 -0.31 0.01 -0.36 -0.04 0.95 0.25 1t70G1 ASN 1835 H -0.43 0.57 0.20 -0.55 8.53 8.33 1t70G1 ASN 1835 HA 0.04 0.08 0.64 -0.75 4.76 4.77 1t70G1 ASN 1835 HB2 0.39 0.09 0.07 -0.04 2.88 3.39 1t70G1 ASN 1835 HB3 0.10 -0.11 0.17 -0.04 2.79 2.91 1t70G1 ASN 1835 HD21 0.40 0.04 -0.10 -0.04 7.03 7.32 1t70G1 ASN 1835 HD22 0.36 0.10 -0.07 -0.04 7.74 8.09 1t70G1 MET 1836 H -0.03 0.79 0.36 -0.55 8.47 9.03 1t70G1 MET 1836 HA -0.08 0.15 0.92 -0.75 4.52 4.75 1t70G1 MET 1836 HB2 -0.09 0.07 -0.00 -0.04 2.15 2.08 1t70G1 MET 1836 HB3 -0.11 -0.12 0.08 -0.04 2.03 1.84 1t70G1 MET 1836 HG2 -0.10 0.18 -0.33 -0.04 2.63 2.34 1t70G1 MET 1836 HG3 -0.09 0.01 -0.10 -0.04 2.56 2.33 1t70G1 MET 1836 HE3 -0.09 -0.02 -0.21 -0.04 2.10 1.74 1t70G1 GLU 1837 H -0.00 0.13 -0.04 -0.55 8.60 8.14 1t70G1 GLU 1837 HA -0.07 0.03 0.25 -0.75 4.29 3.74 1t70G1 GLU 1837 HB2 -0.08 -0.10 -0.07 -0.04 2.09 1.80 1t70G1 GLU 1837 HB3 0.12 0.01 -0.00 -0.04 1.99 2.07 1t70G1 GLU 1837 HG2 0.13 0.16 -0.35 -0.04 2.34 2.24 1t70G1 GLU 1837 HG3 0.09 -0.07 -0.23 -0.04 2.34 2.09 1t70G1 ASN 1838 H -0.05 0.12 -0.39 -0.55 8.53 7.67 1t70G1 ASN 1838 HA -0.31 0.12 0.46 -0.75 4.76 4.28 1t70G1 ASN 1838 HB2 -0.10 0.23 -0.04 -0.04 2.88 2.93 1t70G1 ASN 1838 HB3 -0.77 -0.04 0.16 -0.04 2.79 2.10 1t70G1 ASN 1838 HD21 0.07 -0.11 -0.05 -0.04 7.03 6.89 1t70G1 ASN 1838 HD22 -0.49 0.38 0.06 -0.04 7.74 7.66 1t70G1 SER 1839 H -0.17 0.56 -0.45 -0.55 8.46 7.85 1t70G1 SER 1839 HA -0.18 0.02 0.16 -0.75 4.49 3.74 1t70G1 SER 1839 HB2 -0.23 -0.07 0.20 -0.04 3.95 3.81 1t70G1 SER 1839 HB3 -0.20 -0.16 0.00 -0.04 3.93 3.53 1t70G1 ALA 1840 H -0.31 1.12 0.08 -0.55 8.40 8.75 1t70G1 ALA 1840 HA -0.51 0.01 0.72 -0.75 4.34 3.80 1t70G1 ALA 1840 HB3 -0.43 0.01 -0.03 -0.04 1.41 0.92 1t70G1 GLY 1841 H -0.14 0.13 0.21 -0.55 8.43 8.09 1t70G1 GLY 1841 HA2 -0.07 -0.06 0.41 -0.51 4.01 3.78 1t70G1 GLY 1841 HA3 -0.02 0.06 0.37 -0.51 4.01 3.90 1t70G1 GLY 1842 H -0.45 0.14 -0.95 -0.55 8.43 6.62 1t70G1 GLY 1842 HA2 -1.60 -0.00 0.32 -0.51 4.01 2.22 1t70G1 GLY 1842 HA3 -1.15 0.16 0.78 -0.51 4.01 3.29 1t70G1 PHE 1843 H -0.20 0.64 -0.10 -0.55 8.34 8.13 1t70G1 PHE 1843 HA -0.44 0.08 0.98 -0.75 4.62 4.49 1t70G1 PHE 1843 HB2 -0.04 0.02 0.09 -0.04 3.15 3.17 1t70G1 PHE 1843 HB3 -0.15 -0.05 0.03 -0.04 3.06 2.86 1t70G1 PHE 1843 HD2 -0.48 -0.01 -0.03 -0.04 7.28 6.71 1t70G1 PHE 1843 HE2 -0.06 -0.00 -0.01 -0.04 7.38 7.26 1t70G1 PHE 1843 HZ -0.11 -0.01 -0.02 -0.04 7.32 7.15 1t70G1 GLY 1844 H -0.02 0.27 0.29 -0.55 8.43 8.43 1t70G1 GLY 1844 HA2 0.01 0.22 0.48 -0.51 4.01 4.21 1t70G1 GLY 1844 HA3 0.12 -0.12 0.42 -0.51 4.01 3.93 1t70G1 MET 1845 H -0.08 0.24 0.18 -0.55 8.47 8.26 1t70G1 MET 1845 HA -0.26 -0.00 0.95 -0.75 4.52 4.46 1t70G1 MET 1845 HB2 -0.14 0.15 -0.05 -0.04 2.15 2.06 1t70G1 MET 1845 HB3 -0.14 0.03 0.06 -0.04 2.03 1.94 1t70G1 MET 1845 HG2 -0.15 0.01 -0.36 -0.04 2.63 2.10 1t70G1 MET 1845 HG3 -0.13 -0.13 -0.01 -0.04 2.56 2.25 1t70G1 MET 1845 HE3 -0.12 0.01 -0.13 -0.04 2.10 1.82 1t70G1 HIS 1846 H -0.37 0.08 0.11 -0.55 8.41 7.68 1t70G1 HIS 1846 HA -0.44 0.24 0.87 -0.75 4.63 4.55 1t70G1 HIS 1846 HB2 -0.40 -0.05 0.16 -0.04 3.26 2.93 1t70G1 HIS 1846 HB3 -1.56 0.11 0.01 -0.04 3.20 1.71 1t70G1 HIS 1846 HD2 -0.06 0.09 0.01 -0.04 6.97 6.95 1t70G1 HIS 1846 HE1 -0.08 0.14 -0.10 -0.04 7.75 7.66 1t70G1 ARG 1847 H -0.09 0.16 0.14 -0.55 8.46 8.13 1t70G1 ARG 1847 HA -0.22 0.15 0.34 -0.75 4.34 3.85 1t70G1 ARG 1847 HB2 -0.05 0.02 0.16 -0.04 1.90 1.99 1t70G1 ARG 1847 HB3 -0.08 -0.02 0.09 -0.04 1.80 1.74 1t70G1 ARG 1847 HG2 -0.01 0.02 -0.10 -0.04 1.67 1.53 1t70G1 ARG 1847 HG3 -0.10 0.05 0.05 -0.04 1.67 1.63 1t70G1 ARG 1847 HD2 0.02 -0.02 -0.01 -0.04 3.22 3.17 1t70G1 ARG 1847 HD3 0.09 0.06 -0.01 -0.04 3.22 3.32 1t70G1 ASP 1848 H -0.38 0.04 -0.18 -0.55 8.40 7.34 1t70G1 ASP 1848 HA -0.11 0.14 0.39 -0.75 4.63 4.30 1t70G1 ASP 1848 HB2 -0.83 -0.09 0.05 -0.04 2.71 1.80 1t70G1 ASP 1848 HB3 -0.18 0.08 -0.07 -0.04 2.70 2.49 1t70G1 ALA 1849 H 0.41 0.01 -0.30 -0.55 8.40 7.97 1t70G1 ALA 1849 HA 0.05 0.10 0.35 -0.75 4.34 4.09 1t70G1 ALA 1849 HB3 -0.04 0.02 0.04 -0.04 1.41 1.39 1t70G1 ALA 1850 H -0.09 0.39 -0.08 -0.55 8.40 8.07 1t70G1 ALA 1850 HA -0.08 0.03 0.25 -0.75 4.34 3.78 1t70G1 ALA 1850 HB3 -0.31 0.02 -0.03 -0.04 1.41 1.05 1t70G1 ARG 1851 H -0.06 0.26 -0.62 -0.55 8.46 7.49 1t70G1 ARG 1851 HA 0.18 0.08 0.51 -0.75 4.34 4.35 1t70G1 ARG 1851 HB2 0.09 0.03 0.09 -0.04 1.90 2.06 1t70G1 ARG 1851 HB3 0.01 0.04 0.19 -0.04 1.80 1.99 1t70G1 ARG 1851 HG2 0.03 0.01 -0.27 -0.04 1.67 1.41 1t70G1 ARG 1851 HG3 0.10 0.01 -0.00 -0.04 1.67 1.73 1t70G1 ARG 1851 HD2 0.01 -0.03 -0.02 -0.04 3.22 3.14 1t70G1 ARG 1851 HD3 0.03 0.01 -0.04 -0.04 3.22 3.19 1t70G1 GLY 1852 H -0.01 0.58 0.13 -0.55 8.43 8.58 1t70G1 GLY 1852 HA2 -0.01 0.02 0.36 -0.51 4.01 3.87 1t70G1 GLY 1852 HA3 -0.01 0.03 0.31 -0.51 4.01 3.83 1t70G1 ALA 1853 H -0.03 0.47 -0.41 -0.55 8.40 7.88 1t70G1 ALA 1853 HA -0.07 0.04 0.32 -0.75 4.34 3.88 1t70G1 ALA 1853 HB3 -0.07 0.02 -0.04 -0.04 1.41 1.27 1t70G1 LEU 1854 H 0.00 0.37 -0.17 -0.55 8.37 8.02 1t70G1 LEU 1854 HA -0.04 0.24 0.55 -0.75 4.35 4.36 1t70G1 LEU 1854 HB2 0.05 0.05 0.17 -0.04 1.64 1.87 1t70G1 LEU 1854 HB3 0.02 0.02 0.07 -0.04 1.64 1.70 1t70G1 LEU 1854 HG 0.05 0.09 0.13 -0.04 1.64 1.87 1t70G1 LEU 1854 HD13 0.25 -0.06 0.03 -0.04 0.93 1.11 1t70G1 LEU 1854 HD23 0.03 0.00 -0.11 -0.04 0.89 0.77 1t70G1 GLU 1855 H -0.00 0.46 -0.07 -0.55 8.60 8.44 1t70G1 GLU 1855 HA -0.01 0.02 0.33 -0.75 4.29 3.88 1t70G1 GLU 1855 HB2 0.00 -0.04 0.04 -0.04 2.09 2.05 1t70G1 GLU 1855 HB3 -0.01 0.06 0.06 -0.04 1.99 2.06 1t70G1 GLU 1855 HG2 -0.01 -0.08 -0.01 -0.04 2.34 2.19 1t70G1 GLU 1855 HG3 -0.02 0.06 0.03 -0.04 2.34 2.37 1t70G1 ALA 1856 H -0.04 0.15 -0.74 -0.55 8.40 7.22 1t70G1 ALA 1856 HA -0.05 0.13 0.81 -0.75 4.34 4.47 1t70G1 ALA 1856 HB3 -0.06 -0.02 0.11 -0.04 1.41 1.40 1t70G1 GLY 1857 H -0.07 0.15 0.07 -0.55 8.43 8.03 1t70G1 GLY 1857 HA2 -0.07 0.05 0.21 -0.51 4.01 3.69 1t70G1 GLY 1857 HA3 -0.10 0.08 0.61 -0.51 4.01 4.09 1t70G1 ALA 1858 H -0.12 0.36 0.27 -0.55 8.40 8.36 1t70G1 ALA 1858 HA -0.29 0.14 0.48 -0.75 4.34 3.91 1t70G1 ALA 1858 HB3 -0.16 -0.06 -0.17 -0.04 1.41 0.98 1t70G1 GLY 1859 H -0.60 0.74 0.42 -0.55 8.43 8.44 1t70G1 GLY 1859 HA2 -0.07 0.20 0.91 -0.51 4.01 4.55 1t70G1 GLY 1859 HA3 -0.47 -0.04 0.38 -0.51 4.01 3.38 1t70G1 CYS 1860 H -0.32 0.16 0.10 -0.55 8.50 7.89 1t70G1 CYS 1860 HA 0.09 0.26 0.48 -0.75 4.58 4.65 1t70G1 CYS 1860 HB2 -0.23 0.26 0.02 -0.04 2.97 2.97 1t70G1 CYS 1860 HB3 -0.22 -0.17 -0.10 -0.04 2.97 2.44 1t70G1 LEU 1861 H 0.06 0.59 0.24 -0.55 8.37 8.72 1t70G1 LEU 1861 HA -0.07 0.42 1.13 -0.75 4.35 5.08 1t70G1 LEU 1861 HB2 -0.02 -0.08 0.07 -0.04 1.64 1.56 1t70G1 LEU 1861 HB3 -0.06 -0.04 0.06 -0.04 1.64 1.56 1t70G1 LEU 1861 HG -0.04 -0.08 -0.08 -0.04 1.64 1.39 1t70G1 LEU 1861 HD13 -0.08 0.01 -0.24 -0.04 0.93 0.57 1t70G1 LEU 1861 HD23 0.04 -0.04 -0.17 -0.04 0.89 0.67 1t70G1 THR 1862 H 0.02 0.34 0.21 -0.55 8.28 8.30 1t70G1 THR 1862 HA 0.07 0.39 0.98 -0.75 4.39 5.08 1t70G1 THR 1862 HB 0.15 0.03 0.10 -0.04 4.32 4.57 1t70G1 THR 1862 HG23 0.24 0.03 -0.23 -0.04 1.22 1.22 1t70G1 LEU 1863 H -0.00 0.38 0.20 -0.55 8.37 8.40 1t70G1 LEU 1863 HA -0.07 -0.07 0.81 -0.75 4.35 4.26 1t70G1 LEU 1863 HB2 -0.20 0.10 0.12 -0.04 1.64 1.62 1t70G1 LEU 1863 HB3 -0.20 -0.16 0.17 -0.04 1.64 1.42 1t70G1 LEU 1863 HG -0.10 0.01 -0.73 -0.04 1.64 0.78 1t70G1 LEU 1863 HD13 -0.27 0.03 -0.13 -0.04 0.93 0.52 1t70G1 LEU 1863 HD23 -0.12 -0.02 -0.20 -0.04 0.89 0.51 1t70G1 GLY 1864 H -0.23 0.22 0.15 -0.55 8.43 8.02 1t70G1 GLY 1864 HA2 -0.23 0.12 0.32 -0.51 4.01 3.70 1t70G1 GLY 1864 HA3 -0.70 0.13 0.67 -0.51 4.01 3.60 1t70G1 ASN 1865 H -0.59 0.23 0.15 -0.55 8.53 7.77 1t70G1 ASN 1865 HA -0.07 0.09 0.42 -0.75 4.76 4.45 1t70G1 ASN 1865 HB2 -0.25 0.06 0.16 -0.04 2.88 2.81 1t70G1 ASN 1865 HB3 -0.06 -0.10 0.12 -0.04 2.79 2.70 1t70G1 ASN 1865 HD21 0.06 0.03 0.02 -0.04 7.03 7.10 1t70G1 ASN 1865 HD22 -0.04 0.00 0.05 -0.04 7.74 7.71 1t70G1 HIS 1866 H 0.04 0.06 -0.15 -0.55 8.41 7.81 1t70G1 HIS 1866 HA 0.11 0.19 0.68 -0.75 4.63 4.86 1t70G1 HIS 1866 HB2 -0.07 0.05 0.11 -0.04 3.26 3.31 1t70G1 HIS 1866 HB3 -0.16 -0.11 0.29 -0.04 3.20 3.18 1t70G1 HIS 1866 HD2 -0.92 0.00 0.02 -0.04 6.97 6.03 1t70G1 HIS 1866 HE1 0.21 0.04 -0.01 -0.04 7.75 7.94 1t70G1 ALA 1867 H -0.06 0.84 -0.29 -0.55 8.40 8.34 1t70G1 ALA 1867 HA -0.31 -0.07 0.43 -0.75 4.34 3.63 1t70G1 ALA 1867 HB3 -0.77 -0.01 0.14 -0.04 1.41 0.72 1t70G1 TRP 1868 H 0.19 0.17 -0.25 -0.55 7.97 7.53 1t70G1 TRP 1868 HA -0.05 0.21 1.02 -0.75 4.62 5.05 1t70G1 TRP 1868 HB2 -0.03 0.03 0.16 -0.04 3.23 3.35 1t70G1 TRP 1868 HB3 -0.10 0.01 0.11 -0.04 3.23 3.21 1t70G1 TRP 1868 HD1 0.03 0.05 0.02 -0.04 7.22 7.28 1t70G1 TRP 1868 HE1 -0.19 0.01 -0.04 -0.04 10.20 9.94 1t70G1 TRP 1868 HE3 -0.82 -0.06 -0.05 -0.04 7.59 6.62 1t70G1 TRP 1868 HZ2 -0.02 0.06 -0.08 -0.04 7.44 7.36 1t70G1 TRP 1868 HZ3 -0.29 -0.02 -0.11 -0.04 7.13 6.67 1t70G1 TRP 1868 HH2 -0.03 0.32 -0.13 -0.04 7.19 7.30 1t70G1 HIS 1869 H 0.29 0.28 -0.16 -0.55 8.41 8.28 1t70G1 HIS 1869 HA 0.16 0.25 0.91 -0.75 4.63 5.19 1t70G1 HIS 1869 HB2 0.21 0.04 -0.20 -0.04 3.26 3.28 1t70G1 HIS 1869 HB3 0.16 0.03 0.02 -0.04 3.20 3.37 1t70G1 HIS 1869 HD2 0.01 0.01 0.01 -0.04 6.97 6.95 1t70G1 HIS 1869 HE1 0.02 0.05 -0.03 -0.04 7.75 7.75 1t70G1 HIS 1870 H 0.22 0.17 -0.09 -0.55 8.41 8.17 1t70G1 HIS 1870 HA 0.10 0.19 0.86 -0.75 4.63 5.03 1t70G1 HIS 1870 HB2 0.06 0.18 -0.23 -0.04 3.26 3.23 1t70G1 HIS 1870 HB3 0.04 0.08 -0.03 -0.04 3.20 3.25 1t70G1 HIS 1870 HD2 0.05 0.15 -0.06 -0.04 6.97 7.07 1t70G1 HIS 1870 HE1 0.09 0.00 0.05 -0.04 7.75 7.85 1t70G1 LYS 1871 H -0.08 0.23 0.07 -0.55 8.42 8.09 1t70G1 LYS 1871 HA 0.23 0.09 0.32 -0.75 4.32 4.22 1t70G1 LYS 1871 HB2 0.10 0.06 0.05 -0.04 1.87 2.04 1t70G1 LYS 1871 HB3 0.02 0.06 0.14 -0.04 1.79 1.97 1t70G1 LYS 1871 HG2 0.14 -0.09 0.02 -0.04 1.46 1.49 1t70G1 LYS 1871 HG3 0.06 0.07 -0.01 -0.04 1.46 1.54 1t70G1 LYS 1871 HD2 -0.36 -0.08 0.11 -0.04 1.69 1.32 1t70G1 LYS 1871 HD3 -0.03 0.00 0.05 -0.04 1.68 1.66 1t70G1 LYS 1871 HE2 -0.02 0.03 0.03 -0.04 2.99 2.99 1t70G1 LYS 1871 HE3 -0.06 0.03 0.06 -0.04 2.99 2.98 1t70G1 ASP 1872 H 0.44 0.03 -0.21 -0.55 8.40 8.11 1t70G1 ASP 1872 HA 0.14 0.04 0.31 -0.75 4.63 4.36 1t70G1 ASP 1872 HB2 0.13 0.12 0.12 -0.04 2.71 3.04 1t70G1 ASP 1872 HB3 0.02 -0.00 0.09 -0.04 2.70 2.76 1t70G1 ILE 1873 H 0.14 0.55 -0.48 -0.55 8.25 7.91 1t70G1 ILE 1873 HA -0.06 -0.01 0.41 -0.75 4.18 3.77 1t70G1 ILE 1873 HB -0.09 -0.08 0.22 -0.04 1.89 1.89 1t70G1 ILE 1873 HG12 -0.14 -0.03 0.20 -0.04 1.49 1.47 1t70G1 ILE 1873 HG13 0.03 0.04 0.22 -0.04 1.21 1.46 1t70G1 ILE 1873 HG23 -0.30 0.01 -0.08 -0.04 0.93 0.52 1t70G1 ILE 1873 HD13 0.02 0.05 0.28 -0.04 0.88 1.20 1t70G1 TYR 1874 H 0.02 0.18 0.10 -0.55 8.29 8.04 1t70G1 TYR 1874 HA 0.18 0.01 0.34 -0.75 4.56 4.33 1t70G1 TYR 1874 HB2 0.09 0.09 0.12 -0.04 3.06 3.32 1t70G1 TYR 1874 HB3 0.07 -0.01 0.00 -0.04 2.98 3.01 1t70G1 TYR 1874 HD2 0.10 0.02 0.07 -0.04 7.15 7.30 1t70G1 TYR 1874 HE2 -0.07 0.03 0.01 -0.04 6.85 6.78 1t70G1 PRO 1875 HA 0.11 0.08 0.67 -0.51 4.44 4.79 1t70G1 PRO 1875 HB2 0.08 0.02 0.01 -0.04 2.28 2.35 1t70G1 PRO 1875 HB3 0.09 0.01 0.06 -0.04 2.02 2.13 1t70G1 PRO 1875 HG2 0.09 0.21 0.14 -0.04 2.03 2.43 1t70G1 PRO 1875 HG3 0.10 -0.07 -0.04 -0.04 2.03 1.99 1t70G1 PRO 1875 HD2 0.19 0.30 -0.41 -0.04 3.68 3.72 1t70G1 PRO 1875 HD3 0.19 0.04 -0.05 -0.04 3.65 3.79 1t70G1 MET 1876 H 0.06 0.60 0.11 -0.55 8.47 8.69 1t70G1 MET 1876 HA 0.11 -0.04 0.34 -0.75 4.52 4.18 1t70G1 MET 1876 HB2 -0.04 0.15 0.19 -0.04 2.15 2.40 1t70G1 MET 1876 HB3 -0.07 -0.07 -0.01 -0.04 2.03 1.83 1t70G1 MET 1876 HG2 -0.11 -0.09 0.06 -0.04 2.63 2.45 1t70G1 MET 1876 HG3 -0.04 0.42 0.16 -0.04 2.56 3.05 1t70G1 MET 1876 HE3 -0.84 0.01 -0.00 -0.04 2.10 1.22 1t70G1 LEU 1877 H 0.06 0.50 -0.34 -0.55 8.37 8.05 1t70G1 LEU 1877 HA 0.05 0.06 0.43 -0.75 4.35 4.15 1t70G1 LEU 1877 HB2 0.11 0.08 -0.01 -0.04 1.64 1.78 1t70G1 LEU 1877 HB3 0.10 -0.10 -0.03 -0.04 1.64 1.56 1t70G1 LEU 1877 HG -0.03 0.01 -0.13 -0.04 1.64 1.45 1t70G1 LEU 1877 HD13 0.06 -0.02 -0.27 -0.04 0.93 0.67 1t70G1 LEU 1877 HD23 -0.01 -0.02 -0.07 -0.04 0.89 0.75 1t70G1 SER 1878 H 0.10 0.31 -0.14 -0.55 8.46 8.19 1t70G1 SER 1878 HA 0.07 0.03 0.56 -0.75 4.49 4.39 1t70G1 SER 1878 HB2 0.10 0.10 0.25 -0.04 3.95 4.36 1t70G1 SER 1878 HB3 0.08 -0.02 0.29 -0.04 3.93 4.25 1t70G1 GLU 1879 H 0.08 0.79 0.02 -0.55 8.60 8.94 1t70G1 GLU 1879 HA 0.04 0.06 0.42 -0.75 4.29 4.05 1t70G1 GLU 1879 HB2 0.05 -0.04 0.15 -0.04 2.09 2.21 1t70G1 GLU 1879 HB3 0.06 -0.08 0.08 -0.04 1.99 2.01 1t70G1 GLU 1879 HG2 0.11 0.33 -0.01 -0.04 2.34 2.73 1t70G1 GLU 1879 HG3 0.14 -0.05 0.01 -0.04 2.34 2.40 1t70G1 ASP 1880 H 0.04 0.42 -1.24 -0.55 8.40 7.07 1t70G1 ASP 1880 HA 0.04 0.03 0.24 -0.75 4.63 4.20 1t70G1 ASP 1880 HB2 0.01 0.10 0.15 -0.04 2.71 2.94 1t70G1 ASP 1880 HB3 -0.00 -0.07 0.14 -0.04 2.70 2.73 1t70G1 THR 1881 H 0.10 0.06 -0.04 -0.55 8.28 7.85 1t70G1 THR 1881 HA -0.04 0.17 0.94 -0.75 4.39 4.70 1t70G1 THR 1881 HB -0.27 -0.07 0.06 -0.04 4.32 3.99 1t70G1 THR 1881 HG23 -0.05 0.11 0.01 -0.04 1.22 1.24 1t70G1 TYR 1882 H 0.10 0.03 0.13 -0.55 8.29 8.00 1t70G1 TYR 1882 HA 0.02 0.10 0.33 -0.75 4.56 4.27 1t70G1 TYR 1882 HB2 0.00 -0.06 -0.03 -0.04 3.06 2.94 1t70G1 TYR 1882 HB3 0.01 0.05 -0.04 -0.04 2.98 2.96 1t70G1 TYR 1882 HD2 0.00 0.08 0.01 -0.04 7.15 7.21 1t70G1 TYR 1882 HE2 -0.00 -0.01 -0.03 -0.04 6.85 6.77 1t70G1 PRO 1883 HA 0.11 0.17 0.54 -0.51 4.44 4.75 1t70G1 PRO 1883 HB2 0.51 0.03 0.18 -0.04 2.28 2.96 1t70G1 PRO 1883 HB3 0.28 0.07 0.12 -0.04 2.02 2.44 1t70G1 PRO 1883 HG2 0.16 -0.14 -0.02 -0.04 2.03 1.98 1t70G1 PRO 1883 HG3 0.20 0.12 -0.04 -0.04 2.03 2.27 1t70G1 PRO 1883 HD2 0.19 0.01 0.12 -0.04 3.68 3.96 1t70G1 PRO 1883 HD3 0.11 0.18 0.15 -0.04 3.65 4.05 1t70G1 ILE 1884 H 0.08 0.40 0.09 -0.55 8.25 8.27 1t70G1 ILE 1884 HA 0.06 0.19 0.85 -0.75 4.18 4.52 1t70G1 ILE 1884 HB 0.01 0.04 -0.03 -0.04 1.89 1.87 1t70G1 ILE 1884 HG12 -0.01 -0.02 -0.19 -0.04 1.49 1.23 1t70G1 ILE 1884 HG13 0.07 -0.00 -0.41 -0.04 1.21 0.83 1t70G1 ILE 1884 HG23 -0.07 -0.02 -0.19 -0.04 0.93 0.61 1t70G1 ILE 1884 HD13 -0.08 -0.02 -0.17 -0.04 0.88 0.57 1t70G1 VAL 1885 H 0.03 0.40 0.21 -0.55 8.24 8.32 1t70G1 VAL 1885 HA 0.04 0.24 0.81 -0.75 4.13 4.47 1t70G1 VAL 1885 HB 0.14 -0.11 0.03 -0.04 2.12 2.14 1t70G1 VAL 1885 HG13 0.15 0.01 -0.33 -0.04 0.97 0.76 1t70G1 VAL 1885 HG23 0.19 0.02 -0.37 -0.04 0.95 0.75 1t70G1 ARG 1886 H 0.02 0.43 0.14 -0.55 8.46 8.49 1t70G1 ARG 1886 HA -0.09 -0.05 0.68 -0.75 4.34 4.12 1t70G1 ARG 1886 HB2 -0.02 -0.02 0.01 -0.04 1.90 1.82 1t70G1 ARG 1886 HB3 -0.26 -0.09 -0.05 -0.04 1.80 1.36 1t70G1 ARG 1886 HG2 0.23 0.13 -0.13 -0.04 1.67 1.86 1t70G1 ARG 1886 HG3 0.07 -0.05 -0.02 -0.04 1.67 1.62 1t70G1 ARG 1886 HD2 0.18 -0.07 -0.61 -0.04 3.22 2.68 1t70G1 ARG 1886 HD3 0.44 -0.02 -0.29 -0.04 3.22 3.31 1t70G1 PRO 1887 HA -0.01 0.05 0.07 -0.51 4.44 4.04 1t70G1 PRO 1887 HB2 -0.69 0.04 -0.11 -0.04 2.28 1.47 1t70G1 PRO 1887 HB3 -0.30 -0.08 -0.13 -0.04 2.02 1.48 1t70G1 PRO 1887 HG2 -0.14 0.01 -0.06 -0.04 2.03 1.80 1t70G1 PRO 1887 HG3 -0.14 0.08 -0.09 -0.04 2.03 1.84 1t70G1 PRO 1887 HD2 0.17 0.15 0.08 -0.04 3.68 4.03 1t70G1 PRO 1887 HD3 -0.11 -0.01 0.06 -0.04 3.65 3.56 1t70G1 LEU 1888 H 0.03 0.29 0.35 -0.55 8.37 8.49 1t70G1 LEU 1888 HA 0.16 0.21 0.74 -0.75 4.35 4.71 1t70G1 LEU 1888 HB2 0.19 0.18 0.25 -0.04 1.64 2.21 1t70G1 LEU 1888 HB3 0.08 -0.12 0.19 -0.04 1.64 1.75 1t70G1 LEU 1888 HG 0.14 -0.02 -0.19 -0.04 1.64 1.53 1t70G1 LEU 1888 HD13 0.40 0.01 0.05 -0.04 0.93 1.35 1t70G1 LEU 1888 HD23 0.09 -0.01 -0.10 -0.04 0.89 0.83 1t70G1 ASN 1889 H -0.01 -0.03 0.08 -0.55 8.53 8.03 1t70G1 ASN 1889 HA 0.06 0.18 0.29 -0.75 4.76 4.54 1t70G1 ASN 1889 HB2 0.02 0.39 0.22 -0.04 2.88 3.47 1t70G1 ASN 1889 HB3 0.02 -0.02 -0.00 -0.04 2.79 2.74 1t70G1 ASN 1889 HD21 0.03 0.21 0.26 -0.04 7.03 7.48 1t70G1 ASN 1889 HD22 0.02 0.17 0.05 -0.04 7.74 7.95 1t70G1 TYR 1890 H 0.14 0.38 -1.00 -0.55 8.29 7.26 1t70G1 TYR 1890 HA 0.09 -0.05 0.58 -0.75 4.56 4.42 1t70G1 TYR 1890 HB2 0.15 0.23 0.03 -0.04 3.06 3.43 1t70G1 TYR 1890 HB3 0.09 -0.03 0.04 -0.04 2.98 3.05 1t70G1 TYR 1890 HD2 0.24 0.10 -0.05 -0.04 7.15 7.40 1t70G1 TYR 1890 HE2 0.32 -0.01 -0.05 -0.04 6.85 7.07 1t70G1 ALA 1891 H 0.16 0.10 0.11 -0.55 8.40 8.22 1t70G1 ALA 1891 HA 0.10 0.16 0.24 -0.75 4.34 4.08 1t70G1 ALA 1891 HB3 0.07 -0.02 0.06 -0.04 1.41 1.49 1t70G1 ASP 1892 H 0.08 -0.01 -0.42 -0.55 8.40 7.51 1t70G1 ASP 1892 HA 0.02 0.15 0.60 -0.75 4.63 4.65 1t70G1 ASP 1892 HB2 -0.02 -0.02 0.04 -0.04 2.71 2.67 1t70G1 ASP 1892 HB3 -0.05 0.01 0.05 -0.04 2.70 2.67 1t70G1 PRO 1893 HA 0.04 0.17 0.42 -0.51 4.44 4.55 1t70G1 PRO 1893 HB2 0.01 -0.02 0.03 -0.04 2.28 2.26 1t70G1 PRO 1893 HB3 0.02 0.04 0.11 -0.04 2.02 2.15 1t70G1 PRO 1893 HG2 0.02 -0.01 0.10 -0.04 2.03 2.10 1t70G1 PRO 1893 HG3 0.03 0.11 0.11 -0.04 2.03 2.24 1t70G1 PRO 1893 HD2 0.01 0.02 0.22 -0.04 3.68 3.88 1t70G1 PRO 1893 HD3 0.02 0.25 0.37 -0.04 3.65 4.25 1t70G1 GLY 1894 H -0.02 -0.00 -0.31 -0.55 8.43 7.56 1t70G1 GLY 1894 HA2 -0.01 0.15 0.51 -0.51 4.01 4.16 1t70G1 GLY 1894 HA3 -0.03 -0.07 0.24 -0.51 4.01 3.64 1t70G1 THR 1895 H -0.01 0.31 -0.43 -0.55 8.28 7.61 1t70G1 THR 1895 HA -0.15 -0.06 0.36 -0.75 4.39 3.78 1t70G1 THR 1895 HB 0.09 0.02 -0.01 -0.04 4.32 4.38 1t70G1 THR 1895 HG23 -0.10 -0.08 0.02 -0.04 1.22 1.01 1t70G1 PRO 1896 HA 0.11 0.12 0.46 -0.51 4.44 4.62 1t70G1 PRO 1896 HB2 0.37 -0.07 -0.04 -0.04 2.28 2.50 1t70G1 PRO 1896 HB3 0.21 0.01 0.10 -0.04 2.02 2.29 1t70G1 PRO 1896 HG2 0.36 -0.08 0.08 -0.04 2.03 2.34 1t70G1 PRO 1896 HG3 0.13 0.11 0.11 -0.04 2.03 2.34 1t70G1 PRO 1896 HD2 -0.31 -0.01 0.16 -0.04 3.68 3.48 1t70G1 PRO 1896 HD3 -0.12 0.14 0.24 -0.04 3.65 3.86 1t70G1 GLY 1897 H 0.10 0.08 0.10 -0.55 8.43 8.17 1t70G1 GLY 1897 HA2 0.04 0.06 0.35 -0.51 4.01 3.95 1t70G1 GLY 1897 HA3 0.08 -0.04 0.37 -0.51 4.01 3.92 1t70G1 VAL 1898 H -0.01 0.15 0.21 -0.55 8.24 8.04 1t70G1 VAL 1898 HA -0.04 0.28 0.93 -0.75 4.13 4.54 1t70G1 VAL 1898 HB -0.48 -0.11 0.16 -0.04 2.12 1.65 1t70G1 VAL 1898 HG13 -0.22 0.00 -0.08 -0.04 0.97 0.63 1t70G1 VAL 1898 HG23 -0.17 -0.01 0.08 -0.04 0.95 0.82 1t70G1 GLY 1899 H -0.04 0.16 0.16 -0.55 8.43 8.17 1t70G1 GLY 1899 HA2 0.14 0.49 0.48 -0.51 4.01 4.61 1t70G1 GLY 1899 HA3 0.26 -0.07 0.37 -0.51 4.01 4.06 1t70G1 TRP 1900 H -0.33 0.17 -0.25 -0.55 7.97 7.02 1t70G1 TRP 1900 HA 0.09 0.30 0.47 -0.75 4.62 4.73 1t70G1 TRP 1900 HB2 0.06 -0.07 -0.20 -0.04 3.23 2.98 1t70G1 TRP 1900 HB3 0.06 0.05 -0.09 -0.04 3.23 3.21 1t70G1 TRP 1900 HD1 0.04 -0.04 -0.36 -0.04 7.22 6.82 1t70G1 TRP 1900 HE1 0.03 0.02 -0.05 -0.04 10.20 10.16 1t70G1 TRP 1900 HE3 0.01 -0.03 -0.33 -0.04 7.59 7.20 1t70G1 TRP 1900 HZ2 0.01 0.01 -0.04 -0.04 7.44 7.38 1t70G1 TRP 1900 HZ3 -0.01 0.00 -0.09 -0.04 7.13 6.98 1t70G1 TRP 1900 HH2 -0.00 -0.02 -0.05 -0.04 7.19 7.08 1t70G1 ARG 1901 H 0.39 0.24 0.02 -0.55 8.46 8.55 1t70G1 ARG 1901 HA -0.09 0.10 0.67 -0.75 4.34 4.27 1t70G1 ARG 1901 HB2 0.24 -0.03 0.01 -0.04 1.90 2.08 1t70G1 ARG 1901 HB3 -0.51 0.05 -0.10 -0.04 1.80 1.20 1t70G1 ARG 1901 HG2 -0.18 0.01 0.04 -0.04 1.67 1.49 1t70G1 ARG 1901 HG3 -0.04 0.04 -0.35 -0.04 1.67 1.28 1t70G1 ARG 1901 HD2 0.20 -0.02 -0.31 -0.04 3.22 3.04 1t70G1 ARG 1901 HD3 -0.10 -0.00 -0.07 -0.04 3.22 3.00 1t70G1 THR 1902 H 0.10 0.15 0.08 -0.55 8.28 8.07 1t70G1 THR 1902 HA 0.18 0.11 0.63 -0.75 4.39 4.56 1t70G1 THR 1902 HB 0.08 0.12 -0.02 -0.04 4.32 4.46 1t70G1 THR 1902 HG23 0.31 -0.02 -0.10 -0.04 1.22 1.37 1t70G1 PHE 1903 H 0.25 0.90 0.39 -0.55 8.34 9.33 1t70G1 PHE 1903 HA -0.06 0.19 0.89 -0.75 4.62 4.89 1t70G1 PHE 1903 HB2 -0.39 0.00 0.14 -0.04 3.15 2.86 1t70G1 PHE 1903 HB3 -0.36 -0.03 0.05 -0.04 3.06 2.68 1t70G1 PHE 1903 HD2 -0.01 0.09 0.10 -0.04 7.28 7.42 1t70G1 PHE 1903 HE2 0.17 -0.02 0.06 -0.04 7.38 7.54 1t70G1 PHE 1903 HZ 0.16 -0.03 0.06 -0.04 7.32 7.47 1t70G1 ASP 1904 H 0.08 0.23 0.10 -0.55 8.40 8.26 1t70G1 ASP 1904 HA -0.00 0.30 0.94 -0.75 4.63 5.10 1t70G1 ASP 1904 HB2 0.02 0.02 0.20 -0.04 2.71 2.90 1t70G1 ASP 1904 HB3 0.00 -0.05 0.05 -0.04 2.70 2.67 1t70G1 VAL 1905 H -0.05 0.32 -0.00 -0.55 8.24 7.96 1t70G1 VAL 1905 HA -0.10 0.12 0.39 -0.75 4.13 3.78 1t70G1 VAL 1905 HB -0.02 -0.19 0.09 -0.04 2.12 1.96 1t70G1 VAL 1905 HG13 0.01 0.05 -0.13 -0.04 0.97 0.86 1t70G1 VAL 1905 HG23 -0.14 0.02 -0.10 -0.04 0.95 0.68 1t70G1 ASN 1906 H -0.01 -0.00 -0.06 -0.55 8.53 7.92 1t70G1 ASN 1906 HA 0.00 0.16 0.52 -0.75 4.76 4.70 1t70G1 ASN 1906 HB2 0.01 -0.03 0.10 -0.04 2.88 2.91 1t70G1 ASN 1906 HB3 0.01 -0.01 0.11 -0.04 2.79 2.86 1t70G1 ASN 1906 HD21 0.02 0.07 -0.02 -0.04 7.03 7.06 1t70G1 ASN 1906 HD22 0.01 -0.07 -0.06 -0.04 7.74 7.59 1t70G1 GLY 1907 H 0.00 0.23 -0.02 -0.55 8.43 8.10 1t70G1 GLY 1907 HA2 0.00 0.02 0.33 -0.51 4.01 3.86 1t70G1 GLY 1907 HA3 0.01 0.12 0.49 -0.51 4.01 4.12 1t70G1 GLU 1908 H -0.00 -0.16 -0.64 -0.55 8.60 7.25 1t70G1 GLU 1908 HA -0.00 0.24 0.96 -0.75 4.29 4.74 1t70G1 GLU 1908 HB2 0.01 -0.03 -0.04 -0.04 2.09 1.98 1t70G1 GLU 1908 HB3 -0.00 0.02 -0.00 -0.04 1.99 1.97 1t70G1 GLU 1908 HG2 0.01 0.02 0.01 -0.04 2.34 2.33 1t70G1 GLU 1908 HG3 0.01 0.07 -0.24 -0.04 2.34 2.13 1t70G1 LYS 1909 H -0.01 0.13 0.17 -0.55 8.42 8.15 1t70G1 LYS 1909 HA 0.00 0.38 0.95 -0.75 4.32 4.90 1t70G1 LYS 1909 HB2 -0.01 -0.05 0.19 -0.04 1.87 1.96 1t70G1 LYS 1909 HB3 0.01 0.15 0.06 -0.04 1.79 1.96 1t70G1 LYS 1909 HG2 0.01 0.03 -0.09 -0.04 1.46 1.37 1t70G1 LYS 1909 HG3 -0.00 -0.13 -0.12 -0.04 1.46 1.17 1t70G1 LYS 1909 HD2 0.00 0.26 -0.23 -0.04 1.69 1.69 1t70G1 LYS 1909 HD3 0.00 -0.07 -0.09 -0.04 1.68 1.49 1t70G1 LYS 1909 HE2 -0.01 -0.05 -0.05 -0.04 2.99 2.84 1t70G1 LYS 1909 HE3 -0.01 0.01 -0.27 -0.04 2.99 2.68 1t70G1 LEU 1910 H 0.02 0.57 0.27 -0.55 8.37 8.69 1t70G1 LEU 1910 HA -0.03 0.33 1.03 -0.75 4.35 4.92 1t70G1 LEU 1910 HB2 -0.08 -0.03 -0.08 -0.04 1.64 1.42 1t70G1 LEU 1910 HB3 -0.16 -0.07 0.12 -0.04 1.64 1.50 1t70G1 LEU 1910 HG 0.02 -0.03 -0.28 -0.04 1.64 1.31 1t70G1 LEU 1910 HD13 0.00 0.06 -0.10 -0.04 0.93 0.86 1t70G1 LEU 1910 HD23 -0.16 -0.00 -0.14 -0.04 0.89 0.54 1t70G1 THR 1911 H 0.03 0.72 0.16 -0.55 8.28 8.65 1t70G1 THR 1911 HA 0.25 0.26 0.94 -0.75 4.39 5.07 1t70G1 THR 1911 HB 0.02 -0.05 -0.00 -0.04 4.32 4.25 1t70G1 THR 1911 HG23 0.17 -0.03 -0.34 -0.04 1.22 0.98 1t70G1 VAL 1912 H 0.38 0.52 0.17 -0.55 8.24 8.77 1t70G1 VAL 1912 HA 0.35 0.22 0.86 -0.75 4.13 4.81 1t70G1 VAL 1912 HB 0.38 -0.01 0.14 -0.04 2.12 2.59 1t70G1 VAL 1912 HG13 0.39 -0.01 -0.19 -0.04 0.97 1.12 1t70G1 VAL 1912 HG23 0.28 0.03 -0.10 -0.04 0.95 1.12 1t70G1 VAL 1913 H 0.18 0.35 0.15 -0.55 8.24 8.37 1t70G1 VAL 1913 HA 0.29 0.28 0.92 -0.75 4.13 4.86 1t70G1 VAL 1913 HB 0.05 0.00 -0.07 -0.04 2.12 2.06 1t70G1 VAL 1913 HG13 -0.02 -0.03 -0.14 -0.04 0.97 0.74 1t70G1 VAL 1913 HG23 0.08 0.02 -0.13 -0.04 0.95 0.89 1t70G1 ASN 1914 H 0.18 0.65 0.25 -0.55 8.53 9.06 1t70G1 ASN 1914 HA 0.12 0.09 0.90 -0.75 4.76 5.11 1t70G1 ASN 1914 HB2 0.13 0.06 -0.18 -0.04 2.88 2.86 1t70G1 ASN 1914 HB3 0.09 0.12 -0.38 -0.04 2.79 2.58 1t70G1 ASN 1914 HD21 -0.05 0.44 -0.36 -0.04 7.03 7.02 1t70G1 ASN 1914 HD22 -0.01 -0.12 -0.52 -0.04 7.74 7.06 1t70G1 LEU 1915 H 0.11 0.48 0.16 -0.55 8.37 8.57 1t70G1 LEU 1915 HA 0.04 0.02 1.04 -0.75 4.35 4.69 1t70G1 LEU 1915 HB2 0.10 -0.03 -0.15 -0.04 1.64 1.52 1t70G1 LEU 1915 HB3 0.19 -0.02 -0.04 -0.04 1.64 1.72 1t70G1 LEU 1915 HG -0.06 0.06 -0.30 -0.04 1.64 1.30 1t70G1 LEU 1915 HD13 -0.35 0.01 -0.10 -0.04 0.93 0.45 1t70G1 LEU 1915 HD23 -0.01 0.02 0.10 -0.04 0.89 0.96 1t70G1 LEU 1916 H 0.08 0.22 0.20 -0.55 8.37 8.33 1t70G1 LEU 1916 HA 0.04 0.28 1.05 -0.75 4.35 4.97 1t70G1 LEU 1916 HB2 -0.11 -0.07 0.07 -0.04 1.64 1.48 1t70G1 LEU 1916 HB3 -0.04 0.20 0.00 -0.04 1.64 1.76 1t70G1 LEU 1916 HG -0.18 -0.05 -0.17 -0.04 1.64 1.20 1t70G1 LEU 1916 HD13 -0.33 0.02 -0.10 -0.04 0.93 0.48 1t70G1 LEU 1916 HD23 -0.11 0.00 0.19 -0.04 0.89 0.94 1t70G1 GLY 1917 H -0.11 0.44 0.13 -0.55 8.43 8.34 1t70G1 GLY 1917 HA2 0.04 0.09 0.58 -0.51 4.01 4.21 1t70G1 GLY 1917 HA3 -0.28 -0.10 0.29 -0.51 4.01 3.40 1t70G1 ARG 1918 H 0.04 -0.05 0.14 -0.55 8.46 8.04 1t70G1 ARG 1918 HA 0.04 0.36 0.89 -0.75 4.34 4.88 1t70G1 ARG 1918 HB2 0.07 -0.10 0.11 -0.04 1.90 1.94 1t70G1 ARG 1918 HB3 0.04 0.05 -0.07 -0.04 1.80 1.78 1t70G1 ARG 1918 HG2 0.06 -0.08 -0.10 -0.04 1.67 1.50 1t70G1 ARG 1918 HG3 0.07 0.06 -0.44 -0.04 1.67 1.32 1t70G1 ARG 1918 HD2 0.10 -0.04 -0.04 -0.04 3.22 3.21 1t70G1 ARG 1918 HD3 0.09 -0.03 -0.01 -0.04 3.22 3.23 1t70G1 VAL 1919 H -0.01 -0.02 0.14 -0.55 8.24 7.80 1t70G1 VAL 1919 HA -0.20 0.08 0.41 -0.75 4.13 3.66 1t70G1 VAL 1919 HB -0.17 -0.16 0.16 -0.04 2.12 1.90 1t70G1 VAL 1919 HG13 -1.09 0.04 -0.05 -0.04 0.97 -0.18 1t70G1 VAL 1919 HG23 -0.08 0.01 0.11 -0.04 0.95 0.95 1t70G1 PHE 1920 H -0.17 0.14 0.23 -0.55 8.34 7.99 1t70G1 PHE 1920 HA 0.04 0.04 0.35 -0.75 4.62 4.29 1t70G1 PHE 1920 HB2 0.03 0.12 0.21 -0.04 3.15 3.47 1t70G1 PHE 1920 HB3 0.03 0.04 0.20 -0.04 3.06 3.29 1t70G1 PHE 1920 HD2 0.02 0.01 -0.06 -0.04 7.28 7.22 1t70G1 PHE 1920 HE2 0.02 -0.03 -0.00 -0.04 7.38 7.33 1t70G1 PHE 1920 HZ 0.02 0.02 -0.00 -0.04 7.32 7.32 1t70G1 MET 1921 H 0.08 0.47 -0.01 -0.55 8.47 8.47 1t70G1 MET 1921 HA 0.13 0.14 0.78 -0.75 4.52 4.83 1t70G1 MET 1921 HB2 0.08 0.08 -0.17 -0.04 2.15 2.10 1t70G1 MET 1921 HB3 0.09 -0.07 0.08 -0.04 2.03 2.09 1t70G1 MET 1921 HG2 0.21 0.07 -0.15 -0.04 2.63 2.71 1t70G1 MET 1921 HG3 0.16 0.02 -0.68 -0.04 2.56 2.02 1t70G1 MET 1921 HE3 0.08 0.02 -0.01 -0.04 2.10 2.15 1t70G1 GLU 1922 H 0.09 0.12 0.11 -0.55 8.60 8.37 1t70G1 GLU 1922 HA 0.07 0.03 0.52 -0.75 4.29 4.16 1t70G1 GLU 1922 HB2 0.08 0.00 0.11 -0.04 2.09 2.24 1t70G1 GLU 1922 HB3 0.10 -0.03 0.15 -0.04 1.99 2.17 1t70G1 GLU 1922 HG2 0.10 0.08 -0.29 -0.04 2.34 2.19 1t70G1 GLU 1922 HG3 0.07 -0.00 -0.00 -0.04 2.34 2.36 1t70G1 ALA 1923 H 0.06 0.10 0.21 -0.55 8.40 8.22 1t70G1 ALA 1923 HA 0.06 -0.04 0.40 -0.75 4.34 4.01 1t70G1 ALA 1923 HB3 0.05 0.01 0.12 -0.04 1.41 1.54 1t70G1 VAL 1924 H 0.07 0.06 0.09 -0.55 8.24 7.91 1t70G1 VAL 1924 HA 0.11 0.15 0.74 -0.75 4.13 4.37 1t70G1 VAL 1924 HB 0.11 -0.05 0.17 -0.04 2.12 2.31 1t70G1 VAL 1924 HG13 0.18 0.04 -0.16 -0.04 0.97 0.98 1t70G1 VAL 1924 HG23 0.02 0.02 -0.13 -0.04 0.95 0.82 1t70G1 ASP 1925 H 0.09 0.48 0.29 -0.55 8.40 8.71 1t70G1 ASP 1925 HA 0.07 0.05 0.68 -0.75 4.63 4.68 1t70G1 ASP 1925 HB2 0.09 -0.17 0.18 -0.04 2.71 2.77 1t70G1 ASP 1925 HB3 0.07 0.03 0.06 -0.04 2.70 2.82 1t70G1 ASN 1926 H 0.07 0.13 0.17 -0.55 8.53 8.35 1t70G1 ASN 1926 HA 0.10 0.05 0.38 -0.75 4.76 4.53 1t70G1 ASN 1926 HB2 0.08 0.09 0.17 -0.04 2.88 3.18 1t70G1 ASN 1926 HB3 0.08 0.03 0.14 -0.04 2.79 2.99 1t70G1 ASN 1926 HD21 0.13 0.02 0.03 -0.04 7.03 7.17 1t70G1 ASN 1926 HD22 0.09 0.09 0.05 -0.04 7.74 7.93 1t70G1 PRO 1927 HA -0.04 0.12 0.52 -0.51 4.44 4.54 1t70G1 PRO 1927 HB2 -0.26 -0.02 -0.01 -0.04 2.28 1.95 1t70G1 PRO 1927 HB3 0.03 0.17 0.19 -0.04 2.02 2.37 1t70G1 PRO 1927 HG2 -0.44 -0.04 0.07 -0.04 2.03 1.58 1t70G1 PRO 1927 HG3 0.09 -0.00 0.11 -0.04 2.03 2.18 1t70G1 PRO 1927 HD2 0.12 -0.01 0.21 -0.04 3.68 3.97 1t70G1 PRO 1927 HD3 0.06 0.27 0.11 -0.04 3.65 4.05 1t70G1 PHE 1928 H 0.04 0.08 -0.14 -0.55 8.34 7.77 1t70G1 PHE 1928 HA -0.02 0.15 0.42 -0.75 4.62 4.42 1t70G1 PHE 1928 HB2 -0.07 -0.10 0.12 -0.04 3.15 3.05 1t70G1 PHE 1928 HB3 -0.25 0.12 -0.02 -0.04 3.06 2.87 1t70G1 PHE 1928 HD2 -0.19 0.03 -0.01 -0.04 7.28 7.07 1t70G1 PHE 1928 HE2 0.03 -0.01 -0.21 -0.04 7.38 7.15 1t70G1 PHE 1928 HZ 0.10 0.02 0.00 -0.04 7.32 7.40 1t70G1 ARG 1929 H 0.17 0.09 -0.06 -0.55 8.46 8.11 1t70G1 ARG 1929 HA 0.12 0.09 0.35 -0.75 4.34 4.14 1t70G1 ARG 1929 HB2 0.08 -0.02 0.03 -0.04 1.90 1.95 1t70G1 ARG 1929 HB3 0.06 0.07 0.00 -0.04 1.80 1.89 1t70G1 ARG 1929 HG2 0.06 0.06 0.02 -0.04 1.67 1.77 1t70G1 ARG 1929 HG3 0.06 -0.08 0.03 -0.04 1.67 1.64 1t70G1 ARG 1929 HD2 0.04 0.04 0.00 -0.04 3.22 3.26 1t70G1 ARG 1929 HD3 0.02 0.03 0.00 -0.04 3.22 3.23 1t70G1 THR 1930 H 0.06 0.12 -0.75 -0.55 8.28 7.16 1t70G1 THR 1930 HA 0.04 0.05 0.33 -0.75 4.39 4.06 1t70G1 THR 1930 HB 0.00 0.05 0.04 -0.04 4.32 4.37 1t70G1 THR 1930 HG23 0.04 -0.03 -0.22 -0.04 1.22 0.98 1t70G1 MET 1931 H 0.02 0.44 -0.26 -0.55 8.47 8.13 1t70G1 MET 1931 HA -0.05 -0.00 0.33 -0.75 4.52 4.04 1t70G1 MET 1931 HB2 0.03 0.20 0.19 -0.04 2.15 2.54 1t70G1 MET 1931 HB3 -0.05 0.02 -0.13 -0.04 2.03 1.83 1t70G1 MET 1931 HG2 -0.14 0.06 0.01 -0.04 2.63 2.52 1t70G1 MET 1931 HG3 -0.15 -0.06 -0.08 -0.04 2.56 2.24 1t70G1 MET 1931 HE3 -0.09 -0.02 -0.17 -0.04 2.10 1.77 1t70G1 ASP 1932 H 0.07 0.22 -0.19 -0.55 8.40 7.96 1t70G1 ASP 1932 HA -0.03 0.08 0.28 -0.75 4.63 4.21 1t70G1 ASP 1932 HB2 0.04 0.04 0.06 -0.04 2.71 2.80 1t70G1 ASP 1932 HB3 0.02 0.02 -0.02 -0.04 2.70 2.68 1t70G1 ALA 1933 H 0.01 0.27 -0.33 -0.55 8.40 7.80 1t70G1 ALA 1933 HA -0.01 0.02 0.32 -0.75 4.34 3.91 1t70G1 ALA 1933 HB3 0.02 0.04 0.08 -0.04 1.41 1.50 1t70G1 LEU 1934 H -0.06 0.40 -0.04 -0.55 8.37 8.12 1t70G1 LEU 1934 HA -0.22 -0.03 0.29 -0.75 4.35 3.64 1t70G1 LEU 1934 HB2 -0.13 -0.02 0.06 -0.04 1.64 1.50 1t70G1 LEU 1934 HB3 -0.17 0.09 -0.00 -0.04 1.64 1.51 1t70G1 LEU 1934 HG -0.55 0.02 -0.11 -0.04 1.64 0.95 1t70G1 LEU 1934 HD13 -1.48 -0.02 -0.01 -0.04 0.93 -0.62 1t70G1 LEU 1934 HD23 -0.28 -0.02 -0.12 -0.04 0.89 0.43 1t70G1 LEU 1935 H -0.11 0.41 -0.91 -0.55 8.37 7.21 1t70G1 LEU 1935 HA -0.17 0.02 0.67 -0.75 4.35 4.12 1t70G1 LEU 1935 HB2 -0.09 0.18 0.10 -0.04 1.64 1.80 1t70G1 LEU 1935 HB3 -0.09 -0.06 0.16 -0.04 1.64 1.61 1t70G1 LEU 1935 HG -0.12 0.06 -0.13 -0.04 1.64 1.41 1t70G1 LEU 1935 HD13 -0.11 -0.04 -0.13 -0.04 0.93 0.60 1t70G1 LEU 1935 HD23 -0.13 -0.01 -0.03 -0.04 0.89 0.68 1t70G1 GLU 1936 H -0.10 0.72 -0.11 -0.55 8.60 8.57 1t70G1 GLU 1936 HA -0.06 0.21 0.98 -0.75 4.29 4.67 1t70G1 GLU 1936 HB2 -0.04 0.08 0.15 -0.04 2.09 2.24 1t70G1 GLU 1936 HB3 -0.03 -0.10 0.21 -0.04 1.99 2.03 1t70G1 GLU 1936 HG2 -0.03 0.01 -0.05 -0.04 2.34 2.23 1t70G1 GLU 1936 HG3 -0.03 0.25 -0.08 -0.04 2.34 2.44 1t70G1 ARG 1937 H -0.14 0.14 -0.33 -0.55 8.46 7.58 1t70G1 ARG 1937 HA -0.04 0.13 0.59 -0.75 4.34 4.26 1t70G1 ARG 1937 HB2 -0.19 0.06 0.03 -0.04 1.90 1.76 1t70G1 ARG 1937 HB3 -0.06 -0.24 0.18 -0.04 1.80 1.64 1t70G1 ARG 1937 HG2 -0.04 0.01 -0.05 -0.04 1.67 1.56 1t70G1 ARG 1937 HG3 -0.19 0.10 -0.04 -0.04 1.67 1.50 1t70G1 ARG 1937 HD2 -0.45 -0.01 -0.03 -0.04 3.22 2.69 1t70G1 ARG 1937 HD3 0.09 -0.03 -0.01 -0.04 3.22 3.23 1t70G1 ASP 1938 H -0.04 -0.11 0.14 -0.55 8.40 7.84 1t70G1 ASP 1938 HA -0.04 0.25 0.75 -0.75 4.63 4.83 1t70G1 ASP 1938 HB2 -0.01 -0.03 -0.02 -0.04 2.71 2.61 1t70G1 ASP 1938 HB3 -0.02 0.04 0.04 -0.04 2.70 2.72 1t70G1 ASP 1939 H -0.01 0.01 0.13 -0.55 8.40 7.99 1t70G1 ASP 1939 HA 0.00 0.13 0.35 -0.75 4.63 4.36 1t70G1 ASP 1939 HB2 0.05 0.07 0.17 -0.04 2.71 2.95 1t70G1 ASP 1939 HB3 0.03 0.01 0.11 -0.04 2.70 2.81 1t70G1 LEU 1940 H -0.06 0.14 -1.02 -0.55 8.37 6.88 1t70G1 LEU 1940 HA -0.04 0.10 0.52 -0.75 4.35 4.18 1t70G1 LEU 1940 HB2 -0.10 -0.01 0.03 -0.04 1.64 1.51 1t70G1 LEU 1940 HB3 -0.12 0.04 -0.14 -0.04 1.64 1.39 1t70G1 LEU 1940 HG -0.18 -0.21 -0.21 -0.04 1.64 0.99 1t70G1 LEU 1940 HD13 -0.26 0.11 -0.02 -0.04 0.93 0.72 1t70G1 LEU 1940 HD23 -0.39 0.00 -0.20 -0.04 0.89 0.27 1t70G1 GLY 1941 H -0.06 0.15 0.03 -0.55 8.43 8.01 1t70G1 GLY 1941 HA2 -0.04 0.03 0.33 -0.51 4.01 3.81 1t70G1 GLY 1941 HA3 -0.04 0.09 0.69 -0.51 4.01 4.24 1t70G1 THR 1942 H -0.07 0.49 0.31 -0.55 8.28 8.47 1t70G1 THR 1942 HA -0.18 0.13 0.67 -0.75 4.39 4.25 1t70G1 THR 1942 HB -0.13 0.18 0.32 -0.04 4.32 4.65 1t70G1 THR 1942 HG23 -0.65 0.01 -0.14 -0.04 1.22 0.39 1t70G1 VAL 1943 H -0.14 0.27 0.30 -0.55 8.24 8.12 1t70G1 VAL 1943 HA -0.03 0.24 0.92 -0.75 4.13 4.51 1t70G1 VAL 1943 HB -0.09 -0.05 0.25 -0.04 2.12 2.18 1t70G1 VAL 1943 HG13 -0.07 -0.01 -0.15 -0.04 0.97 0.70 1t70G1 VAL 1943 HG23 -0.10 0.08 -0.08 -0.04 0.95 0.82 1t70G1 PHE 1944 H 0.16 0.72 0.29 -0.55 8.34 8.95 1t70G1 PHE 1944 HA -0.01 0.12 1.06 -0.75 4.62 5.03 1t70G1 PHE 1944 HB2 0.08 -0.00 -0.12 -0.04 3.15 3.07 1t70G1 PHE 1944 HB3 0.09 0.01 0.04 -0.04 3.06 3.16 1t70G1 PHE 1944 HD2 0.20 -0.03 -0.16 -0.04 7.28 7.25 1t70G1 PHE 1944 HE2 -0.03 -0.03 -0.20 -0.04 7.38 7.08 1t70G1 PHE 1944 HZ -1.02 -0.05 -0.14 -0.04 7.32 6.07 1t70G1 VAL 1945 H -0.37 0.70 0.30 -0.55 8.24 8.32 1t70G1 VAL 1945 HA -0.13 0.23 0.75 -0.75 4.13 4.23 1t70G1 VAL 1945 HB -0.26 -0.06 0.13 -0.04 2.12 1.89 1t70G1 VAL 1945 HG13 -0.17 -0.04 -0.23 -0.04 0.97 0.48 1t70G1 VAL 1945 HG23 -0.15 0.03 -0.09 -0.04 0.95 0.71 1t70G1 ASP 1946 H -0.04 0.56 0.18 -0.55 8.40 8.55 1t70G1 ASP 1946 HA -0.27 0.31 0.87 -0.75 4.63 4.79 1t70G1 ASP 1946 HB2 0.28 0.04 -0.08 -0.04 2.71 2.90 1t70G1 ASP 1946 HB3 0.17 0.03 0.21 -0.04 2.70 3.07 1t70G1 PHE 1947 H 0.00 0.20 -0.36 -0.55 8.34 7.63 1t70G1 PHE 1947 HA -0.04 -0.04 0.31 -0.75 4.62 4.09 1t70G1 PHE 1947 HB2 -0.11 0.06 -0.11 -0.04 3.15 2.94 1t70G1 PHE 1947 HB3 -0.09 -0.03 -0.05 -0.04 3.06 2.85 1t70G1 PHE 1947 HD2 -0.03 0.02 -0.16 -0.04 7.28 7.06 1t70G1 PHE 1947 HE2 -0.08 0.14 -0.41 -0.04 7.38 6.99 1t70G1 PHE 1947 HZ -0.24 -0.06 -0.12 -0.04 7.32 6.85 1t70G1 HIS 1948 H 0.21 0.37 0.09 -0.55 8.41 8.54 1t70G1 HIS 1948 HA -0.01 0.06 0.87 -0.75 4.63 4.80 1t70G1 HIS 1948 HB2 0.03 0.15 0.13 -0.04 3.26 3.54 1t70G1 HIS 1948 HB3 -0.03 0.09 0.49 -0.04 3.20 3.70 1t70G1 HIS 1948 HD2 0.07 0.02 -0.10 -0.04 6.97 6.91 1t70G1 HIS 1948 HE1 -0.84 0.05 0.01 -0.04 7.75 6.93 1t70G1 ALA 1949 H -0.25 0.33 0.10 -0.55 8.40 8.04 1t70G1 ALA 1949 HA -0.07 0.17 0.95 -0.75 4.34 4.64 1t70G1 ALA 1949 HB3 -0.59 -0.07 -0.02 -0.04 1.41 0.70 1t70G1 GLU 1950 H -0.01 -0.07 0.11 -0.55 8.60 8.08 1t70G1 GLU 1950 HA -0.01 0.23 0.88 -0.75 4.29 4.65 1t70G1 GLU 1950 HB2 0.16 0.04 -0.12 -0.04 2.09 2.13 1t70G1 GLU 1950 HB3 0.21 0.07 0.09 -0.04 1.99 2.32 1t70G1 GLU 1950 HG2 0.12 0.08 -0.03 -0.04 2.34 2.47 1t70G1 GLU 1950 HG3 0.08 -0.08 -0.20 -0.04 2.34 2.10 1t70G1 ALA 1951 H 0.10 0.05 0.14 -0.55 8.40 8.14 1t70G1 ALA 1951 HA 0.23 0.18 0.49 -0.75 4.34 4.48 1t70G1 ALA 1951 HB3 0.08 -0.01 0.10 -0.04 1.41 1.53 1t70G1 THR 1952 H 0.13 0.20 0.21 -0.55 8.28 8.28 1t70G1 THR 1952 HA 0.10 0.19 0.57 -0.75 4.39 4.50 1t70G1 THR 1952 HB 0.11 0.04 0.04 -0.04 4.32 4.46 1t70G1 THR 1952 HG23 0.06 0.04 0.03 -0.04 1.22 1.32 1t70G1 SER 1953 H 0.12 0.11 0.05 -0.55 8.46 8.20 1t70G1 SER 1953 HA 0.12 0.15 0.34 -0.75 4.49 4.35 1t70G1 SER 1953 HB2 0.07 0.10 0.04 -0.04 3.95 4.13 1t70G1 SER 1953 HB3 0.08 0.05 0.12 -0.04 3.93 4.15 1t70G1 GLU 1954 H 0.12 -0.00 -0.45 -0.55 8.60 7.73 1t70G1 GLU 1954 HA 0.30 0.14 0.45 -0.75 4.29 4.43 1t70G1 GLU 1954 HB2 0.12 -0.02 0.08 -0.04 2.09 2.22 1t70G1 GLU 1954 HB3 0.08 0.05 0.04 -0.04 1.99 2.12 1t70G1 GLU 1954 HG2 0.15 0.04 -0.16 -0.04 2.34 2.34 1t70G1 GLU 1954 HG3 0.42 0.07 0.03 -0.04 2.34 2.81 1t70G1 LYS 1955 H 0.15 0.33 -0.23 -0.55 8.42 8.12 1t70G1 LYS 1955 HA 0.49 0.01 0.39 -0.75 4.32 4.46 1t70G1 LYS 1955 HB2 0.15 0.07 0.19 -0.04 1.87 2.25 1t70G1 LYS 1955 HB3 0.21 -0.02 0.01 -0.04 1.79 1.95 1t70G1 LYS 1955 HG2 -0.16 -0.10 -0.04 -0.04 1.46 1.11 1t70G1 LYS 1955 HG3 -0.08 0.09 -0.03 -0.04 1.46 1.39 1t70G1 LYS 1955 HD2 0.01 -0.03 -0.06 -0.04 1.69 1.56 1t70G1 LYS 1955 HD3 -0.03 0.15 0.12 -0.04 1.68 1.88 1t70G1 LYS 1955 HE2 -0.19 -0.26 -0.02 -0.04 2.99 2.49 1t70G1 LYS 1955 HE3 -0.09 -0.08 -0.48 -0.04 2.99 2.30 1t70G1 GLU 1956 H 0.24 0.62 -0.17 -0.55 8.60 8.75 1t70G1 GLU 1956 HA 0.01 0.05 0.43 -0.75 4.29 4.03 1t70G1 GLU 1956 HB2 0.20 0.05 0.06 -0.04 2.09 2.36 1t70G1 GLU 1956 HB3 0.27 0.02 -0.04 -0.04 1.99 2.20 1t70G1 GLU 1956 HG2 0.14 -0.05 -0.02 -0.04 2.34 2.37 1t70G1 GLU 1956 HG3 0.18 0.03 -0.02 -0.04 2.34 2.49 1t70G1 ALA 1957 H 0.29 0.32 -0.31 -0.55 8.40 8.15 1t70G1 ALA 1957 HA 0.32 0.07 0.38 -0.75 4.34 4.36 1t70G1 ALA 1957 HB3 0.24 0.02 0.09 -0.04 1.41 1.72 1t70G1 MET 1958 H 0.36 0.36 -0.31 -0.55 8.47 8.33 1t70G1 MET 1958 HA 0.28 0.03 0.30 -0.75 4.52 4.38 1t70G1 MET 1958 HB2 -0.24 -0.01 0.05 -0.04 2.15 1.90 1t70G1 MET 1958 HB3 0.09 0.10 0.10 -0.04 2.03 2.27 1t70G1 MET 1958 HG2 -1.08 -0.07 -0.13 -0.04 2.63 1.30 1t70G1 MET 1958 HG3 -0.25 0.04 -0.28 -0.04 2.56 2.03 1t70G1 MET 1958 HE3 -1.30 -0.01 -0.23 -0.04 2.10 0.52 1t70G1 GLY 1959 H 0.19 0.39 -0.13 -0.55 8.43 8.34 1t70G1 GLY 1959 HA2 0.02 0.04 0.26 -0.51 4.01 3.82 1t70G1 GLY 1959 HA3 -0.17 0.07 0.25 -0.51 4.01 3.64 1t70G1 TRP 1960 H 0.01 0.46 -0.28 -0.55 7.97 7.61 1t70G1 TRP 1960 HA -0.01 0.03 0.39 -0.75 4.62 4.26 1t70G1 TRP 1960 HB2 0.02 0.08 0.07 -0.04 3.23 3.36 1t70G1 TRP 1960 HB3 0.01 -0.02 0.10 -0.04 3.23 3.27 1t70G1 TRP 1960 HD1 -0.05 0.07 -0.13 -0.04 7.22 7.07 1t70G1 TRP 1960 HE1 -0.11 -0.07 -0.03 -0.04 10.20 9.95 1t70G1 TRP 1960 HE3 -0.02 0.08 0.07 -0.04 7.59 7.68 1t70G1 TRP 1960 HZ2 -0.07 -0.01 -0.01 -0.04 7.44 7.30 1t70G1 TRP 1960 HZ3 -0.02 -0.01 0.05 -0.04 7.13 7.11 1t70G1 TRP 1960 HH2 -0.03 -0.02 0.02 -0.04 7.19 7.12 1t70G1 HIS 1961 H 0.26 0.46 -0.71 -0.55 8.41 7.88 1t70G1 HIS 1961 HA 0.12 0.11 0.76 -0.75 4.63 4.86 1t70G1 HIS 1961 HB2 0.21 0.00 0.04 -0.04 3.26 3.48 1t70G1 HIS 1961 HB3 0.18 0.08 0.18 -0.04 3.20 3.60 1t70G1 HIS 1961 HD2 0.14 -0.04 -0.09 -0.04 6.97 6.93 1t70G1 HIS 1961 HE1 0.04 -0.01 -0.05 -0.04 7.75 7.69 1t70G1 LEU 1962 H 0.05 0.48 0.07 -0.55 8.37 8.41 1t70G1 LEU 1962 HA -0.16 0.16 0.63 -0.75 4.35 4.22 1t70G1 LEU 1962 HB2 -0.06 0.00 -0.07 -0.04 1.64 1.47 1t70G1 LEU 1962 HB3 -0.09 -0.04 -0.01 -0.04 1.64 1.45 1t70G1 LEU 1962 HG -0.13 0.06 -0.12 -0.04 1.64 1.40 1t70G1 LEU 1962 HD13 -0.04 0.03 -0.29 -0.04 0.93 0.58 1t70G1 LEU 1962 HD23 -0.17 -0.03 -0.14 -0.04 0.89 0.51 1t70G1 ALA 1963 H 0.02 0.16 -0.49 -0.55 8.40 7.54 1t70G1 ALA 1963 HA -0.03 -0.02 0.44 -0.75 4.34 3.97 1t70G1 ALA 1963 HB3 0.02 0.06 0.01 -0.04 1.41 1.46 1t70G1 GLY 1964 H -0.02 0.19 0.15 -0.55 8.43 8.21 1t70G1 GLY 1964 HA2 0.00 0.07 0.37 -0.51 4.01 3.95 1t70G1 GLY 1964 HA3 0.00 0.19 0.86 -0.51 4.01 4.56 1t70G1 ARG 1965 H -0.05 0.34 -0.17 -0.55 8.46 8.03 1t70G1 ARG 1965 HA -0.05 0.23 0.95 -0.75 4.34 4.71 1t70G1 ARG 1965 HB2 -0.10 -0.03 -0.04 -0.04 1.90 1.70 1t70G1 ARG 1965 HB3 -0.07 0.01 0.10 -0.04 1.80 1.80 1t70G1 ARG 1965 HG2 -0.06 0.01 -0.29 -0.04 1.67 1.29 1t70G1 ARG 1965 HG3 -0.09 0.01 -0.33 -0.04 1.67 1.22 1t70G1 ARG 1965 HD2 -0.16 -0.05 -0.07 -0.04 3.22 2.90 1t70G1 ARG 1965 HD3 -0.10 -0.00 -0.05 -0.04 3.22 3.03 1t70G1 VAL 1966 H -0.05 0.12 0.15 -0.55 8.24 7.91 1t70G1 VAL 1966 HA -0.08 0.15 0.89 -0.75 4.13 4.34 1t70G1 VAL 1966 HB -0.08 0.01 -0.08 -0.04 2.12 1.94 1t70G1 VAL 1966 HG13 -0.10 -0.06 -0.01 -0.04 0.97 0.76 1t70G1 VAL 1966 HG23 -0.10 -0.03 -0.28 -0.04 0.95 0.49 1t70G1 ALA 1967 H -0.10 0.36 0.36 -0.55 8.40 8.47 1t70G1 ALA 1967 HA 0.03 0.16 0.77 -0.75 4.34 4.55 1t70G1 ALA 1967 HB3 -0.34 0.07 0.07 -0.04 1.41 1.17 1t70G1 ALA 1968 H 0.03 0.35 0.30 -0.55 8.40 8.53 1t70G1 ALA 1968 HA 0.07 0.30 0.95 -0.75 4.34 4.90 1t70G1 ALA 1968 HB3 0.40 -0.02 -0.07 -0.04 1.41 1.68 1t70G1 VAL 1969 H -0.11 0.65 0.08 -0.55 8.24 8.31 1t70G1 VAL 1969 HA -0.35 0.21 0.80 -0.75 4.13 4.04 1t70G1 VAL 1969 HB 0.01 -0.00 0.14 -0.04 2.12 2.22 1t70G1 VAL 1969 HG13 -0.09 -0.05 -0.16 -0.04 0.97 0.64 1t70G1 VAL 1969 HG23 -0.10 0.01 -0.32 -0.04 0.95 0.49 1t70G1 ILE 1970 H -0.59 0.49 0.07 -0.55 8.25 7.67 1t70G1 ILE 1970 HA -0.33 0.11 1.01 -0.75 4.18 4.21 1t70G1 ILE 1970 HB -0.41 0.03 0.06 -0.04 1.89 1.53 1t70G1 ILE 1970 HG12 -0.01 0.05 -0.13 -0.04 1.49 1.37 1t70G1 ILE 1970 HG13 -0.13 -0.02 -0.16 -0.04 1.21 0.85 1t70G1 ILE 1970 HG23 -0.20 0.01 -0.19 -0.04 0.93 0.51 1t70G1 ILE 1970 HD13 -0.09 -0.03 -0.47 -0.04 0.88 0.24 1t70G1 GLY 1971 H -0.27 0.39 0.08 -0.55 8.43 8.08 1t70G1 GLY 1971 HA2 -0.04 0.36 0.54 -0.51 4.01 4.36 1t70G1 GLY 1971 HA3 -0.09 0.13 0.31 -0.51 4.01 3.85 1t70G1 THR 1972 H -0.07 0.45 0.53 -0.55 8.28 8.64 1t70G1 THR 1972 HA 0.02 -0.00 0.77 -0.75 4.39 4.43 1t70G1 THR 1972 HB 0.11 -0.19 0.16 -0.04 4.32 4.36 1t70G1 THR 1972 HG23 0.22 0.04 -0.17 -0.04 1.22 1.27 1t70G1 HIS 1973 H 0.04 0.09 0.10 -0.55 8.41 8.10 1t70G1 HIS 1973 HA -0.08 -0.00 0.34 -0.75 4.63 4.13 1t70G1 HIS 1973 HB2 -1.16 -0.15 -0.13 -0.04 3.26 1.79 1t70G1 HIS 1973 HB3 -0.26 0.58 0.47 -0.04 3.20 3.95 1t70G1 HIS 1973 HD2 -0.02 -0.05 -0.42 -0.04 6.97 6.43 1t70G1 HIS 1973 HE1 0.19 0.02 0.00 -0.04 7.75 7.92 1t70G1 THR 1974 H 0.03 0.07 -0.14 -0.55 8.28 7.69 1t70G1 THR 1974 HA -0.25 0.19 0.20 -0.75 4.39 3.77 1t70G1 THR 1974 HB -0.08 0.01 0.08 -0.04 4.32 4.29 1t70G1 THR 1974 HG23 -0.11 0.06 0.02 -0.04 1.22 1.14 1t70G1 HIS 1975 H 0.24 -0.15 -0.31 -0.55 8.41 7.64 1t70G1 HIS 1975 HA 0.03 -0.06 0.09 -0.75 4.63 3.93 1t70G1 HIS 1975 HB2 -0.33 0.26 -0.16 -0.04 3.26 2.99 1t70G1 HIS 1975 HB3 -0.72 -0.03 0.07 -0.04 3.20 2.48 1t70G1 HIS 1975 HD2 -0.98 0.13 -0.12 -0.04 6.97 5.96 1t70G1 HIS 1975 HE1 0.24 -0.10 -0.06 -0.04 7.75 7.79 1t70G1 VAL 1976 H 0.02 0.08 -0.53 -0.55 8.24 7.25 1t70G1 VAL 1976 HA 0.03 0.28 1.01 -0.75 4.13 4.70 1t70G1 VAL 1976 HB -0.02 -0.07 -0.04 -0.04 2.12 1.95 1t70G1 VAL 1976 HG13 -0.01 0.03 -0.17 -0.04 0.97 0.78 1t70G1 VAL 1976 HG23 -0.07 0.04 -0.18 -0.04 0.95 0.70 1t70G1 PRO 1977 HA 0.03 0.27 0.18 -0.51 4.44 4.41 1t70G1 PRO 1977 HB2 0.03 0.01 -0.04 -0.04 2.28 2.24 1t70G1 PRO 1977 HB3 0.05 0.29 0.11 -0.04 2.02 2.42 1t70G1 PRO 1977 HG2 0.03 -0.01 0.07 -0.04 2.03 2.08 1t70G1 PRO 1977 HG3 0.04 0.06 0.04 -0.04 2.03 2.12 1t70G1 PRO 1977 HD2 0.04 0.10 0.18 -0.04 3.68 3.96 1t70G1 PRO 1977 HD3 0.08 0.07 0.11 -0.04 3.65 3.87 1t70G1 THR 1978 H 0.01 0.37 0.24 -0.55 8.28 8.36 1t70G1 THR 1978 HA 0.02 0.16 0.70 -0.75 4.39 4.51 1t70G1 THR 1978 HB 0.03 -0.05 0.03 -0.04 4.32 4.30 1t70G1 THR 1978 HG23 0.02 0.05 -0.07 -0.04 1.22 1.18 1t70G1 ALA 1979 H 0.03 0.17 0.08 -0.55 8.40 8.13 1t70G1 ALA 1979 HA 0.03 0.20 0.76 -0.75 4.34 4.57 1t70G1 ALA 1979 HB3 0.02 0.03 0.13 -0.04 1.41 1.55 1t70G1 ASP 1980 H 0.04 0.07 -0.47 -0.55 8.40 7.49 1t70G1 ASP 1980 HA 0.06 0.31 0.92 -0.75 4.63 5.16 1t70G1 ASP 1980 HB2 0.11 0.06 0.11 -0.04 2.71 2.94 1t70G1 ASP 1980 HB3 0.08 -0.01 -0.03 -0.04 2.70 2.69 1t70G1 THR 1981 H 0.04 0.04 -0.21 -0.55 8.28 7.60 1t70G1 THR 1981 HA 0.03 0.08 0.43 -0.75 4.39 4.18 1t70G1 THR 1981 HB 0.04 0.03 0.02 -0.04 4.32 4.37 1t70G1 THR 1981 HG23 0.04 -0.01 -0.25 -0.04 1.22 0.96 1t70G1 ARG 1982 H 0.06 0.33 0.37 -0.55 8.46 8.67 1t70G1 ARG 1982 HA 0.04 0.09 0.57 -0.75 4.34 4.29 1t70G1 ARG 1982 HB2 0.05 0.29 -0.30 -0.04 1.90 1.90 1t70G1 ARG 1982 HB3 0.05 -0.05 -0.07 -0.04 1.80 1.69 1t70G1 ARG 1982 HG2 0.02 -0.25 0.11 -0.04 1.67 1.51 1t70G1 ARG 1982 HG3 0.03 0.01 -0.01 -0.04 1.67 1.67 1t70G1 ARG 1982 HD2 -0.10 -0.02 -0.19 -0.04 3.22 2.86 1t70G1 ARG 1982 HD3 -0.06 -0.08 -0.71 -0.04 3.22 2.33 1t70G1 ILE 1983 H 0.02 0.23 0.05 -0.55 8.25 8.00 1t70G1 ILE 1983 HA 0.02 0.20 0.80 -0.75 4.18 4.45 1t70G1 ILE 1983 HB 0.03 -0.02 0.08 -0.04 1.89 1.93 1t70G1 ILE 1983 HG12 0.05 0.02 -0.23 -0.04 1.49 1.29 1t70G1 ILE 1983 HG13 0.04 -0.08 -0.37 -0.04 1.21 0.75 1t70G1 ILE 1983 HG23 0.04 0.04 -0.28 -0.04 0.93 0.69 1t70G1 ILE 1983 HD13 0.05 0.03 -0.43 -0.04 0.88 0.48 1t70G1 LEU 1984 H -0.09 0.56 0.07 -0.55 8.37 8.37 1t70G1 LEU 1984 HA -0.14 -0.01 0.38 -0.75 4.35 3.82 1t70G1 LEU 1984 HB2 -0.18 -0.01 -0.01 -0.04 1.64 1.41 1t70G1 LEU 1984 HB3 -0.40 0.03 0.00 -0.04 1.64 1.24 1t70G1 LEU 1984 HG -0.29 0.01 -0.02 -0.04 1.64 1.30 1t70G1 LEU 1984 HD13 -0.44 0.01 -0.22 -0.04 0.93 0.24 1t70G1 LEU 1984 HD23 -1.48 -0.02 -0.07 -0.04 0.89 -0.72 1t70G1 LYS 1985 H 0.12 0.09 0.16 -0.55 8.42 8.24 1t70G1 LYS 1985 HA 0.06 0.02 0.45 -0.75 4.32 4.09 1t70G1 LYS 1985 HB2 0.12 -0.01 0.17 -0.04 1.87 2.11 1t70G1 LYS 1985 HB3 0.16 0.01 0.16 -0.04 1.79 2.08 1t70G1 LYS 1985 HG2 0.06 0.06 -0.17 -0.04 1.46 1.36 1t70G1 LYS 1985 HG3 0.06 -0.01 0.05 -0.04 1.46 1.52 1t70G1 LYS 1985 HD2 0.05 0.00 -0.01 -0.04 1.69 1.69 1t70G1 LYS 1985 HD3 0.07 -0.02 0.03 -0.04 1.68 1.71 1t70G1 LYS 1985 HE2 0.11 -0.02 0.01 -0.04 2.99 3.06 1t70G1 LYS 1985 HE3 0.07 0.05 -0.07 -0.04 2.99 2.99 1t70G1 GLY 1986 H 0.04 0.10 0.25 -0.55 8.43 8.27 1t70G1 GLY 1986 HA2 0.03 0.02 0.33 -0.51 4.01 3.88 1t70G1 GLY 1986 HA3 0.03 0.20 0.73 -0.51 4.01 4.46 1t70G1 GLY 1987 H 0.03 0.32 0.16 -0.55 8.43 8.39 1t70G1 GLY 1987 HA2 0.05 0.08 0.35 -0.51 4.01 3.98 1t70G1 GLY 1987 HA3 0.04 0.12 0.70 -0.51 4.01 4.36 1t70G1 THR 1988 H 0.00 0.23 -0.12 -0.55 8.28 7.84 1t70G1 THR 1988 HA 0.04 0.52 1.06 -0.75 4.39 5.26 1t70G1 THR 1988 HB -0.06 -0.15 0.02 -0.04 4.32 4.08 1t70G1 THR 1988 HG23 -0.03 0.05 -0.41 -0.04 1.22 0.79 1t70G1 ALA 1989 H 0.11 0.89 0.43 -0.55 8.40 9.28 1t70G1 ALA 1989 HA 0.05 0.17 0.67 -0.75 4.34 4.48 1t70G1 ALA 1989 HB3 0.11 -0.04 0.09 -0.04 1.41 1.53 1t70G1 TYR 1990 H 0.07 0.71 0.37 -0.55 8.29 8.90 1t70G1 TYR 1990 HA -0.09 0.21 0.84 -0.75 4.56 4.76 1t70G1 TYR 1990 HB2 -0.20 0.09 -0.19 -0.04 3.06 2.72 1t70G1 TYR 1990 HB3 -0.19 -0.03 -0.04 -0.04 2.98 2.68 1t70G1 TYR 1990 HD2 -0.13 0.05 -0.24 -0.04 7.15 6.79 1t70G1 TYR 1990 HE2 -0.02 0.05 -0.05 -0.04 6.85 6.79 1t70G1 GLN 1991 H -0.92 0.43 0.09 -0.55 8.47 7.53 1t70G1 GLN 1991 HA -0.17 0.07 0.41 -0.75 4.36 3.93 1t70G1 GLN 1991 HB2 -0.08 0.11 -0.28 -0.04 2.15 1.86 1t70G1 GLN 1991 HB3 -0.16 -0.02 -0.03 -0.04 2.02 1.77 1t70G1 GLN 1991 HG2 -0.06 -0.22 -0.22 -0.04 2.40 1.86 1t70G1 GLN 1991 HG3 -0.01 -0.06 -0.02 -0.04 2.39 2.25 1t70G1 GLN 1991 HE21 0.03 0.10 0.03 -0.04 6.97 7.09 1t70G1 GLN 1991 HE22 0.00 0.13 -0.18 -0.04 7.69 7.60 1t70G1 THR 1992 H -0.12 0.19 0.01 -0.55 8.28 7.81 1t70G1 THR 1992 HA -0.20 0.03 0.30 -0.75 4.39 3.76 1t70G1 THR 1992 HB 0.04 0.02 -0.01 -0.04 4.32 4.34 1t70G1 THR 1992 HG23 0.30 0.01 0.00 -0.04 1.22 1.49 1t70G1 ASP 1993 H -0.08 0.05 -0.54 -0.55 8.40 7.29 1t70G1 ASP 1993 HA -0.05 0.46 0.34 -0.75 4.63 4.62 1t70G1 ASP 1993 HB2 -0.02 0.10 -0.42 -0.04 2.71 2.33 1t70G1 ASP 1993 HB3 0.00 0.15 -0.07 -0.04 2.70 2.73 1t70G1 ALA 1994 H 0.00 0.57 0.13 -0.55 8.40 8.56 1t70G1 ALA 1994 HA 0.05 0.05 0.32 -0.75 4.34 4.01 1t70G1 ALA 1994 HB3 0.20 -0.00 -0.04 -0.04 1.41 1.52 1t70G1 GLY 1995 H 0.08 -0.09 -0.34 -0.55 8.43 7.54 1t70G1 GLY 1995 HA2 0.08 -0.19 -0.28 -0.51 4.01 3.11 1t70G1 GLY 1995 HA3 0.09 0.30 0.55 -0.51 4.01 4.44 1t70G1 PHE 1996 H 0.20 0.27 -0.20 -0.55 8.34 8.06 1t70G1 PHE 1996 HA -0.18 0.01 0.20 -0.75 4.62 3.90 1t70G1 PHE 1996 HB2 -0.02 0.47 0.20 -0.04 3.15 3.75 1t70G1 PHE 1996 HB3 -0.03 -0.01 -0.08 -0.04 3.06 2.89 1t70G1 PHE 1996 HD2 -0.24 0.05 -0.11 -0.04 7.28 6.94 1t70G1 PHE 1996 HE2 -0.11 0.19 -0.14 -0.04 7.38 7.28 1t70G1 PHE 1996 HZ -0.80 -0.02 0.01 -0.04 7.32 6.46 1t70G1 THR 1997 H -0.84 0.13 -0.05 -0.55 8.28 6.98 1t70G1 THR 1997 HA -0.24 0.19 0.65 -0.75 4.39 4.23 1t70G1 THR 1997 HB -0.18 0.04 0.05 -0.04 4.32 4.19 1t70G1 THR 1997 HG23 -0.13 -0.06 0.07 -0.04 1.22 1.06 1t70G1 GLY 1998 H -0.84 0.25 0.08 -0.55 8.43 7.36 1t70G1 GLY 1998 HA2 -0.33 0.02 0.47 -0.51 4.01 3.66 1t70G1 GLY 1998 HA3 -0.86 0.07 0.47 -0.51 4.01 3.18 1t70G1 PRO 1999 HA 0.02 0.23 0.45 -0.51 4.44 4.63 1t70G1 PRO 1999 HB2 0.04 -0.02 -0.34 -0.04 2.28 1.92 1t70G1 PRO 1999 HB3 0.03 0.17 -0.12 -0.04 2.02 2.05 1t70G1 PRO 1999 HG2 0.14 -0.10 0.01 -0.04 2.03 2.04 1t70G1 PRO 1999 HG3 0.00 0.21 0.10 -0.04 2.03 2.30 1t70G1 PRO 1999 HD2 -0.00 0.06 0.20 -0.04 3.68 3.90 1t70G1 PRO 1999 HD3 0.04 0.13 0.19 -0.04 3.65 3.97 1t70G1 HIS 2000 H 0.11 0.63 0.22 -0.55 8.41 8.82 1t70G1 HIS 2000 HA 0.04 0.07 0.39 -0.75 4.63 4.38 1t70G1 HIS 2000 HB2 -0.05 0.05 -0.26 -0.04 3.26 2.96 1t70G1 HIS 2000 HB3 -0.03 -0.02 -0.05 -0.04 3.20 3.05 1t70G1 HIS 2000 HD2 -0.05 -0.02 -0.11 -0.04 6.97 6.75 1t70G1 HIS 2000 HE1 -0.04 -0.01 -0.04 -0.04 7.75 7.62 1t70G1 ASP 2001 H 0.03 0.17 -0.14 -0.55 8.40 7.92 1t70G1 ASP 2001 HA -0.16 0.20 0.77 -0.75 4.63 4.69 1t70G1 ASP 2001 HB2 -0.01 -0.00 0.17 -0.04 2.71 2.82 1t70G1 ASP 2001 HB3 -0.05 -0.01 0.08 -0.04 2.70 2.68 1t70G1 SER 2002 H -0.09 0.41 -0.13 -0.55 8.46 8.11 1t70G1 SER 2002 HA -0.04 0.07 0.59 -0.75 4.49 4.35 1t70G1 SER 2002 HB2 -0.09 0.16 -0.29 -0.04 3.95 3.68 1t70G1 SER 2002 HB3 -0.02 0.00 -0.51 -0.04 3.93 3.36 1t70G1 ILE 2003 H -0.09 0.72 -0.01 -0.55 8.25 8.32 1t70G1 ILE 2003 HA -0.10 0.18 0.82 -0.75 4.18 4.33 1t70G1 ILE 2003 HB -0.00 0.08 0.09 -0.04 1.89 2.01 1t70G1 ILE 2003 HG12 -0.03 0.06 -0.07 -0.04 1.49 1.42 1t70G1 ILE 2003 HG13 -0.02 -0.12 -0.31 -0.04 1.21 0.72 1t70G1 ILE 2003 HG23 0.04 0.00 -0.08 -0.04 0.93 0.86 1t70G1 ILE 2003 HD13 0.06 0.03 0.01 -0.04 0.88 0.94 1t70G1 ILE 2004 H -0.22 0.26 -0.03 -0.55 8.25 7.71 1t70G1 ILE 2004 HA -0.41 0.10 0.26 -0.75 4.18 3.37 1t70G1 ILE 2004 HB -0.19 -0.04 -0.23 -0.04 1.89 1.39 1t70G1 ILE 2004 HG12 -0.72 -0.02 0.08 -0.04 1.49 0.79 1t70G1 ILE 2004 HG13 -0.36 0.08 0.03 -0.04 1.21 0.92 1t70G1 ILE 2004 HG23 -0.21 0.08 0.01 -0.04 0.93 0.78 1t70G1 ILE 2004 HD13 -0.26 -0.00 0.00 -0.04 0.88 0.58 1t70G1 GLY 2005 H -0.36 -0.04 -0.89 -0.55 8.43 6.60 1t70G1 GLY 2005 HA2 -0.44 0.04 0.22 -0.51 4.01 3.32 1t70G1 GLY 2005 HA3 -1.56 0.21 0.81 -0.51 4.01 2.97 1t70G1 SER 2006 H -0.24 0.52 -0.09 -0.55 8.46 8.11 1t70G1 SER 2006 HA 0.02 0.09 0.68 -0.75 4.49 4.53 1t70G1 SER 2006 HB2 -0.05 0.05 0.07 -0.04 3.95 3.97 1t70G1 SER 2006 HB3 -0.10 0.03 0.10 -0.04 3.93 3.92 1t70G1 ALA 2007 H 0.06 0.61 0.14 -0.55 8.40 8.67 1t70G1 ALA 2007 HA 0.03 0.02 0.40 -0.75 4.34 4.03 1t70G1 ALA 2007 HB3 0.08 -0.02 -0.03 -0.04 1.41 1.40 1t70G1 ILE 2008 H 0.02 0.14 0.18 -0.55 8.25 8.04 1t70G1 ILE 2008 HA 0.02 0.15 0.37 -0.75 4.18 3.97 1t70G1 ILE 2008 HB 0.01 -0.06 0.12 -0.04 1.89 1.92 1t70G1 ILE 2008 HG12 -0.03 0.04 -0.22 -0.04 1.49 1.25 1t70G1 ILE 2008 HG13 -0.01 -0.01 0.02 -0.04 1.21 1.16 1t70G1 ILE 2008 HG23 -0.00 0.01 -0.18 -0.04 0.93 0.72 1t70G1 ILE 2008 HD13 -0.03 0.01 -0.13 -0.04 0.88 0.69 1t70G1 GLU 2009 H 0.03 0.06 -0.01 -0.55 8.60 8.13 1t70G1 GLU 2009 HA 0.02 0.07 0.33 -0.75 4.29 3.96 1t70G1 GLU 2009 HB2 0.03 0.03 0.11 -0.04 2.09 2.21 1t70G1 GLU 2009 HB3 0.05 -0.08 0.10 -0.04 1.99 2.02 1t70G1 GLU 2009 HG2 0.04 0.04 -0.30 -0.04 2.34 2.08 1t70G1 GLU 2009 HG3 0.02 0.01 -0.03 -0.04 2.34 2.30 1t70G1 GLY 2010 H 0.09 0.03 -0.20 -0.55 8.43 7.80 1t70G1 GLY 2010 HA2 0.04 0.03 0.22 -0.51 4.01 3.79 1t70G1 GLY 2010 HA3 0.15 0.05 0.17 -0.51 4.01 3.87 1t70G1 PRO 2011 HA 0.10 0.02 0.39 -0.51 4.44 4.44 1t70G1 PRO 2011 HB2 0.15 0.07 0.02 -0.04 2.28 2.49 1t70G1 PRO 2011 HB3 0.18 0.01 0.04 -0.04 2.02 2.21 1t70G1 PRO 2011 HG2 0.11 0.11 0.01 -0.04 2.03 2.23 1t70G1 PRO 2011 HG3 0.49 -0.01 0.04 -0.04 2.03 2.50 1t70G1 PRO 2011 HD2 0.14 0.34 -0.15 -0.04 3.68 3.97 1t70G1 PRO 2011 HD3 0.34 -0.08 0.05 -0.04 3.65 3.91 1t70G1 LEU 2012 H 0.08 0.51 -0.29 -0.55 8.37 8.12 1t70G1 LEU 2012 HA 0.20 0.02 0.43 -0.75 4.35 4.25 1t70G1 LEU 2012 HB2 0.04 0.25 0.11 -0.04 1.64 1.99 1t70G1 LEU 2012 HB3 0.01 -0.01 -0.01 -0.04 1.64 1.59 1t70G1 LEU 2012 HG 0.02 -0.01 -0.00 -0.04 1.64 1.62 1t70G1 LEU 2012 HD13 -0.01 -0.02 -0.06 -0.04 0.93 0.80 1t70G1 LEU 2012 HD23 0.02 -0.01 0.01 -0.04 0.89 0.86 1t70G1 GLN 2013 H -0.09 0.61 0.01 -0.55 8.47 8.45 1t70G1 GLN 2013 HA -0.17 -0.02 0.43 -0.75 4.36 3.85 1t70G1 GLN 2013 HB2 -0.54 0.20 0.15 -0.04 2.15 1.91 1t70G1 GLN 2013 HB3 -1.23 -0.03 0.00 -0.04 2.02 0.73 1t70G1 GLN 2013 HG2 -0.11 0.10 0.05 -0.04 2.40 2.40 1t70G1 GLN 2013 HG3 -0.14 -0.04 -0.00 -0.04 2.39 2.17 1t70G1 GLN 2013 HE21 -0.03 0.00 -0.03 -0.04 6.97 6.87 1t70G1 GLN 2013 HE22 -0.04 -0.00 -0.02 -0.04 7.69 7.59 1t70G1 ARG 2014 H -0.17 0.36 -0.30 -0.55 8.46 7.79 1t70G1 ARG 2014 HA -0.11 0.16 0.40 -0.75 4.34 4.04 1t70G1 ARG 2014 HB2 -0.22 0.22 0.17 -0.04 1.90 2.02 1t70G1 ARG 2014 HB3 -0.27 -0.03 -0.08 -0.04 1.80 1.38 1t70G1 ARG 2014 HG2 -0.13 0.01 0.04 -0.04 1.67 1.55 1t70G1 ARG 2014 HG3 -0.26 -0.01 -0.06 -0.04 1.67 1.29 1t70G1 ARG 2014 HD2 -0.23 -0.09 0.03 -0.04 3.22 2.89 1t70G1 ARG 2014 HD3 -0.12 0.01 -0.03 -0.04 3.22 3.04 1t70G1 PHE 2015 H 0.03 0.44 -0.16 -0.55 8.34 8.10 1t70G1 PHE 2015 HA -0.02 0.02 0.45 -0.75 4.62 4.32 1t70G1 PHE 2015 HB2 -0.04 0.14 0.23 -0.04 3.15 3.45 1t70G1 PHE 2015 HB3 -0.03 -0.05 0.00 -0.04 3.06 2.94 1t70G1 PHE 2015 HD2 -0.02 0.04 -0.03 -0.04 7.28 7.23 1t70G1 PHE 2015 HE2 -0.02 -0.04 -0.04 -0.04 7.38 7.25 1t70G1 PHE 2015 HZ -0.03 -0.03 -0.03 -0.04 7.32 7.19 1t70G1 LEU 2016 H 0.04 0.37 -0.10 -0.55 8.37 8.14 1t70G1 LEU 2016 HA 0.04 0.10 0.65 -0.75 4.35 4.39 1t70G1 LEU 2016 HB2 -0.02 -0.00 0.14 -0.04 1.64 1.72 1t70G1 LEU 2016 HB3 -0.00 -0.03 -0.02 -0.04 1.64 1.54 1t70G1 LEU 2016 HG 0.03 0.01 -0.04 -0.04 1.64 1.59 1t70G1 LEU 2016 HD13 -0.01 -0.02 -0.08 -0.04 0.93 0.78 1t70G1 LEU 2016 HD23 0.00 -0.00 0.00 -0.04 0.89 0.85 1t70G1 THR 2017 H -0.04 0.64 0.10 -0.55 8.28 8.44 1t70G1 THR 2017 HA 0.02 0.13 0.72 -0.75 4.39 4.51 1t70G1 THR 2017 HB 0.07 -0.04 0.07 -0.04 4.32 4.37 1t70G1 THR 2017 HG23 0.02 -0.01 0.03 -0.04 1.22 1.21 1t70G1 GLU 2018 H -0.00 0.37 -0.11 -0.55 8.60 8.31 1t70G1 GLU 2018 HA -0.01 0.14 0.32 -0.75 4.29 3.99 1t70G1 GLU 2018 HB2 0.01 0.23 0.17 -0.04 2.09 2.46 1t70G1 GLU 2018 HB3 0.01 -0.11 0.17 -0.04 1.99 2.02 1t70G1 GLU 2018 HG2 0.03 0.00 -0.08 -0.04 2.34 2.25 1t70G1 GLU 2018 HG3 0.03 0.01 -0.69 -0.04 2.34 1.65 1t70G1 ARG 2019 H 0.05 0.10 -0.20 -0.55 8.46 7.86 1t70G1 ARG 2019 HA 0.01 0.19 0.86 -0.75 4.34 4.65 1t70G1 ARG 2019 HB2 0.12 -0.07 -0.07 -0.04 1.90 1.85 1t70G1 ARG 2019 HB3 0.00 0.02 -0.03 -0.04 1.80 1.76 1t70G1 ARG 2019 HG2 0.01 0.06 -0.14 -0.04 1.67 1.56 1t70G1 ARG 2019 HG3 0.04 0.15 -0.26 -0.04 1.67 1.55 1t70G1 ARG 2019 HD2 -0.01 -0.02 -0.02 -0.04 3.22 3.13 1t70G1 ARG 2019 HD3 0.01 -0.01 -0.03 -0.04 3.22 3.15 1t70G1 PRO 2020 HA -0.05 -0.01 0.42 -0.51 4.44 4.29 1t70G1 PRO 2020 HB2 -0.07 0.00 -0.05 -0.04 2.28 2.12 1t70G1 PRO 2020 HB3 -0.05 0.02 0.08 -0.04 2.02 2.03 1t70G1 PRO 2020 HG2 -0.06 0.01 0.09 -0.04 2.03 2.02 1t70G1 PRO 2020 HG3 -0.03 0.03 0.07 -0.04 2.03 2.06 1t70G1 PRO 2020 HD2 -0.02 0.11 0.23 -0.04 3.68 3.95 1t70G1 PRO 2020 HD3 -0.02 0.15 0.13 -0.04 3.65 3.87 1t70G1 HIS 2021 H -0.15 0.20 0.19 -0.55 8.41 8.11 1t70G1 HIS 2021 HA -0.11 0.15 0.78 -0.75 4.63 4.70 1t70G1 HIS 2021 HB2 -0.20 0.02 -0.01 -0.04 3.26 3.03 1t70G1 HIS 2021 HB3 -0.12 -0.03 -0.06 -0.04 3.20 2.94 1t70G1 HIS 2021 HD2 -0.03 -0.06 -0.01 -0.04 6.97 6.82 1t70G1 HIS 2021 HE1 -0.03 -0.03 -0.12 -0.04 7.75 7.52 1t70G1 ARG 2022 H -0.04 0.16 0.10 -0.55 8.46 8.13 1t70G1 ARG 2022 HA -0.03 0.11 0.61 -0.75 4.34 4.28 1t70G1 ARG 2022 HB2 -0.01 0.03 0.07 -0.04 1.90 1.96 1t70G1 ARG 2022 HB3 0.03 -0.02 0.16 -0.04 1.80 1.92 1t70G1 ARG 2022 HG2 0.10 -0.04 -0.25 -0.04 1.67 1.44 1t70G1 ARG 2022 HG3 0.08 0.04 -0.02 -0.04 1.67 1.73 1t70G1 ARG 2022 HD2 0.04 -0.02 -0.02 -0.04 3.22 3.18 1t70G1 ARG 2022 HD3 0.05 0.00 -0.04 -0.04 3.22 3.19 1t70G1 TYR 2023 H 0.50 0.28 0.21 -0.55 8.29 8.72 1t70G1 TYR 2023 HA 0.07 0.06 1.02 -0.75 4.56 4.95 1t70G1 TYR 2023 HB2 0.07 0.08 0.04 -0.04 3.06 3.21 1t70G1 TYR 2023 HB3 0.06 -0.14 -0.05 -0.04 2.98 2.81 1t70G1 TYR 2023 HD2 0.06 -0.06 0.14 -0.04 7.15 7.25 1t70G1 TYR 2023 HE2 0.04 -0.01 0.04 -0.04 6.85 6.88 1t70G1 GLY 2024 H 0.16 0.06 0.11 -0.55 8.43 8.22 1t70G1 GLY 2024 HA2 0.14 0.23 0.75 -0.51 4.01 4.62 1t70G1 GLY 2024 HA3 0.11 0.02 0.38 -0.51 4.01 4.01 1t70G1 VAL 2025 H 0.10 0.12 0.18 -0.55 8.24 8.09 1t70G1 VAL 2025 HA 0.18 0.17 0.72 -0.75 4.13 4.44 1t70G1 VAL 2025 HB 0.10 -0.07 0.16 -0.04 2.12 2.27 1t70G1 VAL 2025 HG13 0.24 0.05 -0.04 -0.04 0.97 1.18 1t70G1 VAL 2025 HG23 0.08 -0.03 0.01 -0.04 0.95 0.97 1t70G1 ALA 2026 H 0.06 0.49 0.22 -0.55 8.40 8.63 1t70G1 ALA 2026 HA 0.04 -0.14 0.36 -0.75 4.34 3.84 1t70G1 ALA 2026 HB3 0.00 0.07 -0.21 -0.04 1.41 1.22 1t70G1 GLU 2027 H 0.03 0.05 0.24 -0.55 8.60 8.37 1t70G1 GLU 2027 HA 0.04 0.16 0.92 -0.75 4.29 4.65 1t70G1 GLU 2027 HB2 0.03 0.00 0.05 -0.04 2.09 2.12 1t70G1 GLU 2027 HB3 0.04 0.04 0.10 -0.04 1.99 2.12 1t70G1 GLU 2027 HG2 0.03 0.01 0.08 -0.04 2.34 2.41 1t70G1 GLU 2027 HG3 0.03 -0.06 0.20 -0.04 2.34 2.47 1t70G1 GLY 2028 H 0.02 0.13 0.16 -0.55 8.43 8.19 1t70G1 GLY 2028 HA2 0.01 0.00 0.28 -0.51 4.01 3.80 1t70G1 GLY 2028 HA3 0.02 0.19 0.94 -0.51 4.01 4.65 1t70G1 ARG 2029 H 0.01 0.10 0.14 -0.55 8.46 8.15 1t70G1 ARG 2029 HA -0.01 0.05 0.36 -0.75 4.34 3.98 1t70G1 ARG 2029 HB2 0.01 -0.04 0.16 -0.04 1.90 1.98 1t70G1 ARG 2029 HB3 0.04 -0.11 0.07 -0.04 1.80 1.77 1t70G1 ARG 2029 HG2 -0.07 -0.00 -0.06 -0.04 1.67 1.50 1t70G1 ARG 2029 HG3 -0.07 0.14 -0.01 -0.04 1.67 1.70 1t70G1 ARG 2029 HD2 -0.04 -0.02 0.02 -0.04 3.22 3.14 1t70G1 ARG 2029 HD3 -0.01 -0.11 0.04 -0.04 3.22 3.10 1t70G1 ALA 2030 H -0.04 0.10 0.17 -0.55 8.40 8.08 1t70G1 ALA 2030 HA -0.02 0.10 0.97 -0.75 4.34 4.64 1t70G1 ALA 2030 HB3 -0.05 -0.01 -0.08 -0.04 1.41 1.22 1t70G1 GLU 2031 H -0.13 0.72 0.30 -0.55 8.60 8.95 1t70G1 GLU 2031 HA -0.19 0.19 0.95 -0.75 4.29 4.49 1t70G1 GLU 2031 HB2 -0.11 0.06 0.04 -0.04 2.09 2.03 1t70G1 GLU 2031 HB3 -0.09 -0.05 -0.18 -0.04 1.99 1.63 1t70G1 GLU 2031 HG2 0.03 0.02 -0.21 -0.04 2.34 2.14 1t70G1 GLU 2031 HG3 -0.01 -0.00 -0.46 -0.04 2.34 1.83 1t70G1 LEU 2032 H -0.06 0.72 0.35 -0.55 8.37 8.83 1t70G1 LEU 2032 HA -0.06 0.16 0.99 -0.75 4.35 4.69 1t70G1 LEU 2032 HB2 0.02 -0.04 -0.19 -0.04 1.64 1.39 1t70G1 LEU 2032 HB3 0.09 -0.10 0.07 -0.04 1.64 1.67 1t70G1 LEU 2032 HG -0.03 0.07 -0.01 -0.04 1.64 1.63 1t70G1 LEU 2032 HD13 0.03 -0.01 -0.18 -0.04 0.93 0.73 1t70G1 LEU 2032 HD23 0.12 0.01 -0.39 -0.04 0.89 0.58 1t70G1 ASN 2033 H 0.00 0.46 0.27 -0.55 8.53 8.72 1t70G1 ASN 2033 HA 0.07 0.25 1.18 -0.75 4.76 5.51 1t70G1 ASN 2033 HB2 0.07 0.20 -0.12 -0.04 2.88 2.99 1t70G1 ASN 2033 HB3 0.07 0.29 0.09 -0.04 2.79 3.20 1t70G1 ASN 2033 HD21 0.06 -0.04 -0.21 -0.04 7.03 6.80 1t70G1 ASN 2033 HD22 0.07 0.11 -0.36 -0.04 7.74 7.52 1t70G1 GLY 2034 H 0.15 0.60 0.44 -0.55 8.43 9.07 1t70G1 GLY 2034 HA2 0.18 -0.03 0.78 -0.51 4.01 4.43 1t70G1 GLY 2034 HA3 0.09 0.15 0.53 -0.51 4.01 4.26 1t70G1 VAL 2035 H 0.15 0.45 0.26 -0.55 8.24 8.56 1t70G1 VAL 2035 HA 0.11 0.13 0.85 -0.75 4.13 4.48 1t70G1 VAL 2035 HB 0.12 -0.04 0.07 -0.04 2.12 2.23 1t70G1 VAL 2035 HG13 0.06 -0.00 -0.30 -0.04 0.97 0.68 1t70G1 VAL 2035 HG23 0.08 -0.03 -0.27 -0.04 0.95 0.69 1t70G1 ALA 2036 H 0.13 0.38 0.13 -0.55 8.40 8.49 1t70G1 ALA 2036 HA -0.01 0.04 0.61 -0.75 4.34 4.22 1t70G1 ALA 2036 HB3 0.29 0.02 0.04 -0.04 1.41 1.72 1t70G1 LEU 2037 H -0.03 0.52 0.36 -0.55 8.37 8.67 1t70G1 LEU 2037 HA -0.04 0.27 1.15 -0.75 4.35 4.98 1t70G1 LEU 2037 HB2 -0.43 0.06 0.11 -0.04 1.64 1.33 1t70G1 LEU 2037 HB3 -0.49 -0.05 0.07 -0.04 1.64 1.12 1t70G1 LEU 2037 HG 0.01 -0.02 -0.49 -0.04 1.64 1.10 1t70G1 LEU 2037 HD13 0.14 0.02 -0.03 -0.04 0.93 1.02 1t70G1 LEU 2037 HD23 0.09 -0.02 -0.09 -0.04 0.89 0.83 1t70G1 HIS 2038 H -0.11 0.31 0.30 -0.55 8.41 8.36 1t70G1 HIS 2038 HA -0.13 0.42 1.08 -0.75 4.63 5.24 1t70G1 HIS 2038 HB2 -0.04 0.02 -0.07 -0.04 3.26 3.14 1t70G1 HIS 2038 HB3 -0.02 -0.29 0.24 -0.04 3.20 3.09 1t70G1 HIS 2038 HD2 -0.03 0.00 -0.06 -0.04 6.97 6.84 1t70G1 HIS 2038 HE1 0.02 -0.02 -0.06 -0.04 7.75 7.64 1t70G1 PHE 2039 H -0.15 0.95 0.35 -0.55 8.34 8.93 1t70G1 PHE 2039 HA 0.09 0.29 0.97 -0.75 4.62 5.21 1t70G1 PHE 2039 HB2 0.01 0.07 0.06 -0.04 3.15 3.25 1t70G1 PHE 2039 HB3 0.04 -0.10 -0.09 -0.04 3.06 2.87 1t70G1 PHE 2039 HD2 0.05 0.10 -0.24 -0.04 7.28 7.16 1t70G1 PHE 2039 HE2 0.08 -0.01 -0.25 -0.04 7.38 7.16 1t70G1 PHE 2039 HZ 0.30 -0.06 -0.16 -0.04 7.32 7.36 1t70G1 GLU 2040 H 0.23 0.85 0.16 -0.55 8.60 9.30 1t70G1 GLU 2040 HA 0.12 0.05 0.68 -0.75 4.29 4.39 1t70G1 GLU 2040 HB2 0.21 0.04 -0.36 -0.04 2.09 1.94 1t70G1 GLU 2040 HB3 0.12 0.01 0.00 -0.04 1.99 2.08 1t70G1 GLU 2040 HG2 0.07 -0.02 -0.09 -0.04 2.34 2.26 1t70G1 GLU 2040 HG3 0.10 0.00 0.08 -0.04 2.34 2.48 1t70G1 GLY 2041 H 0.06 0.18 0.12 -0.55 8.43 8.24 1t70G1 GLY 2041 HA2 0.03 0.04 0.35 -0.51 4.01 3.91 1t70G1 GLY 2041 HA3 0.04 0.12 0.46 -0.51 4.01 4.11 1t70G1 GLY 2042 H 0.03 0.04 -0.22 -0.55 8.43 7.73 1t70G1 GLY 2042 HA2 -0.09 -0.07 0.26 -0.51 4.01 3.60 1t70G1 GLY 2042 HA3 -0.04 0.18 0.42 -0.51 4.01 4.05 1t70G1 LYS 2043 H 0.05 0.25 -0.81 -0.55 8.42 7.36 1t70G1 LYS 2043 HA 0.05 0.22 0.76 -0.75 4.32 4.60 1t70G1 LYS 2043 HB2 0.07 0.05 0.05 -0.04 1.87 2.00 1t70G1 LYS 2043 HB3 0.07 0.01 0.20 -0.04 1.79 2.03 1t70G1 LYS 2043 HG2 0.02 0.12 0.04 -0.04 1.46 1.59 1t70G1 LYS 2043 HG3 0.02 0.02 -0.04 -0.04 1.46 1.42 1t70G1 LYS 2043 HD2 0.03 -0.05 0.02 -0.04 1.69 1.65 1t70G1 LYS 2043 HD3 0.04 -0.05 -0.01 -0.04 1.68 1.61 1t70G1 LYS 2043 HE2 0.02 0.19 0.06 -0.04 2.99 3.21 1t70G1 LYS 2043 HE3 0.01 -0.01 0.03 -0.04 2.99 2.98 1t70G1 ALA 2044 H 0.14 0.65 0.41 -0.55 8.40 9.04 1t70G1 ALA 2044 HA 0.32 0.17 0.86 -0.75 4.34 4.94 1t70G1 ALA 2044 HB3 0.19 -0.01 0.03 -0.04 1.41 1.58 1t70G1 THR 2045 H 0.14 0.70 0.41 -0.55 8.28 8.97 1t70G1 THR 2045 HA 0.06 0.16 0.92 -0.75 4.39 4.77 1t70G1 THR 2045 HB -0.02 -0.05 -0.02 -0.04 4.32 4.19 1t70G1 THR 2045 HG23 0.09 0.00 -0.14 -0.04 1.22 1.13 1t70G1 ALA 2046 H 0.07 0.22 0.29 -0.55 8.40 8.44 1t70G1 ALA 2046 HA 0.02 0.15 0.75 -0.75 4.34 4.51 1t70G1 ALA 2046 HB3 -0.00 0.02 -0.06 -0.04 1.41 1.33 1t70G1 ALA 2047 H 0.03 0.27 0.09 -0.55 8.40 8.24 1t70G1 ALA 2047 HA 0.04 0.32 0.86 -0.75 4.34 4.80 1t70G1 ALA 2047 HB3 0.04 -0.01 -0.11 -0.04 1.41 1.28 1t70G1 GLU 2048 H 0.07 0.61 0.19 -0.55 8.60 8.91 1t70G1 GLU 2048 HA 0.05 0.03 0.66 -0.75 4.29 4.28 1t70G1 GLU 2048 HB2 0.06 0.02 0.07 -0.04 2.09 2.19 1t70G1 GLU 2048 HB3 0.05 0.03 -0.22 -0.04 1.99 1.82 1t70G1 GLU 2048 HG2 0.09 0.01 -0.08 -0.04 2.34 2.32 1t70G1 GLU 2048 HG3 0.12 0.02 -0.06 -0.04 2.34 2.38 1t70G1 ARG 2049 H 0.05 0.08 0.16 -0.55 8.46 8.20 1t70G1 ARG 2049 HA 0.09 0.14 0.63 -0.75 4.34 4.45 1t70G1 ARG 2049 HB2 0.03 -0.03 0.07 -0.04 1.90 1.92 1t70G1 ARG 2049 HB3 0.04 0.10 0.16 -0.04 1.80 2.06 1t70G1 ARG 2049 HG2 0.04 -0.00 0.09 -0.04 1.67 1.76 1t70G1 ARG 2049 HG3 0.04 -0.07 0.13 -0.04 1.67 1.72 1t70G1 ARG 2049 HD2 0.03 0.06 -0.00 -0.04 3.22 3.27 1t70G1 ARG 2049 HD3 0.03 0.11 0.08 -0.04 3.22 3.40 1t70G1 TYR 2050 H 0.14 0.58 0.30 -0.55 8.29 8.76 1t70G1 TYR 2050 HA 0.06 0.15 0.73 -0.75 4.56 4.75 1t70G1 TYR 2050 HB2 0.08 0.05 -0.10 -0.04 3.06 3.06 1t70G1 TYR 2050 HB3 0.04 -0.09 -0.07 -0.04 2.98 2.81 1t70G1 TYR 2050 HD2 0.09 -0.01 -0.25 -0.04 7.15 6.94 1t70G1 TYR 2050 HE2 0.14 -0.02 -0.18 -0.04 6.85 6.76 1t70G1 ARG 2051 H -0.73 0.23 0.11 -0.55 8.46 7.52 1t70G1 ARG 2051 HA -0.06 0.41 1.09 -0.75 4.34 5.02 1t70G1 ARG 2051 HB2 -0.06 0.02 -0.14 -0.04 1.90 1.68 1t70G1 ARG 2051 HB3 -0.15 -0.05 0.02 -0.04 1.80 1.58 1t70G1 ARG 2051 HG2 -0.14 -0.07 -0.34 -0.04 1.67 1.07 1t70G1 ARG 2051 HG3 -0.08 0.12 -0.03 -0.04 1.67 1.63 1t70G1 ARG 2051 HD2 -0.03 0.01 -0.06 -0.04 3.22 3.10 1t70G1 ARG 2051 HD3 -0.06 -0.04 -0.08 -0.04 3.22 3.00 1t70G1 PHE 2052 H 0.01 0.61 0.34 -0.55 8.34 8.75 1t70G1 PHE 2052 HA -0.19 0.18 0.91 -0.75 4.62 4.77 1t70G1 PHE 2052 HB2 -0.16 0.05 -0.13 -0.04 3.15 2.87 1t70G1 PHE 2052 HB3 -0.36 -0.02 0.01 -0.04 3.06 2.65 1t70G1 PHE 2052 HD2 -0.23 0.01 -0.12 -0.04 7.28 6.90 1t70G1 PHE 2052 HE2 -0.04 -0.02 -0.10 -0.04 7.38 7.19 1t70G1 PHE 2052 HZ 0.01 -0.05 -0.09 -0.04 7.32 7.15 1t70G1 ILE 2053 H -1.00 0.23 0.04 -0.55 8.25 6.98 1t70G1 ILE 2053 HA -0.50 0.20 1.05 -0.75 4.18 4.18 1t70G1 ILE 2053 HB -0.43 -0.04 0.15 -0.04 1.89 1.53 1t70G1 ILE 2053 HG12 -0.32 -0.06 -0.26 -0.04 1.49 0.82 1t70G1 ILE 2053 HG13 -0.35 -0.00 -0.07 -0.04 1.21 0.74 1t70G1 ILE 2053 HG23 -0.49 0.06 -0.04 -0.04 0.93 0.41 1t70G1 ILE 2053 HD13 -0.36 0.07 -0.16 -0.04 0.88 0.38 1t70G1 GLU 2054 H -0.43 0.20 0.03 -0.55 8.60 7.86 1t70G1 GLU 2054 HA -0.25 -0.02 0.31 -0.75 4.29 3.58 1t70G1 GLU 2054 HB2 0.07 -0.01 0.07 -0.04 2.09 2.19 1t70G1 GLU 2054 HB3 0.01 -0.02 0.07 -0.04 1.99 2.01 1t70G1 GLU 2054 HG2 -0.09 -0.09 0.12 -0.04 2.34 2.24 1t70G1 GLU 2054 HG3 -0.05 0.41 -0.31 -0.04 2.34 2.34 1t70G1 ASP 2055 H -0.02 0.03 0.09 -0.55 8.40 7.96 1t70G1 ASP 2055 HA -0.10 0.20 0.32 -0.75 4.63 4.30 1t70G1 ASP 2055 HB2 0.01 -0.02 0.12 -0.04 2.71 2.78 1t70G1 ASP 2055 HB3 -0.01 0.01 0.09 -0.04 2.70 2.74